# Calcitonin Salmon **CAS:** 47931-85-1 **PubChem CID:** [16220016](https://pubchem.ncbi.nlm.nih.gov/compound/16220016) **Molecular formula:** C145H240N44O48S2 **Molar mass:** 3431.9 g/mol **IUPAC:** (4S)-4-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,22R)-22-amino-16-(2-amino-2-oxoethyl)-7-[(1R)-1-hydroxyethyl]-10,19-bis(hydroxymethyl)-13-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S,3R)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[2-[[(2S,3R)-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid **SMILES:** `C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CO)CC(C)C)CC(=O)N)CO)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H](C)O)C(=O)N5CCC[C@H]5C(=O)N)O` **InChIKey:** `BBBFJLBPOGFECG-VJVYQDLKSA-N` **InChI:** `InChI=1S/C145H240N44O48S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99-63-239-238-62-79(148)117(210)178-96(59-191)134(227)174-92(52-104(151)202)131(224)172-90(49-69(9)10)129(222)180-98(61-193)135(228)187-114(74(16)197)142(235)181-99)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1` ## Physicochemical properties | Parameter | Value | |---|---| | logP (XLogP3) | -16.6 | | PSA | 1560 Ų | | Hydrogen bond donors | 52 | | Hydrogen bond acceptors | 55 | | Rotatable bonds | 99 | | Heavy atoms | 239 | ## 3D structure The molecule contains 479 atoms connected by 483 chemical bonds. Interactive 3D model available at: https://molgod.org/molecule/47931-85-1/ ## Synonyms - Salmon calcitonin - CALCITONIN, SALMON - Calcitonin-salmon - Calcimar - Tonocalcin - Calcitonin,salmon - 7SFC6U2VI5 - Forcaltonin - synthetic salmon calcitonin - 135506-95-5 ## Model views - [ball-and-stick model (flat projection)](https://molgod.org/wp-content/uploads/mol-god/viewer/47931-85-1/calcitonin-salmon-cas-47931-85-1-ball-and-stick-model-flat-projection-v1.png) - [skeletal model (flat projection)](https://molgod.org/wp-content/uploads/mol-god/viewer/47931-85-1/calcitonin-salmon-cas-47931-85-1-skeletal-model-flat-projection-v1.png) - [space-filling model (flat projection)](https://molgod.org/wp-content/uploads/mol-god/viewer/47931-85-1/calcitonin-salmon-cas-47931-85-1-space-filling-model-flat-projection-v1.png) - [2D structure](https://molgod.org/wp-content/uploads/mol-god/viewer/47931-85-1/calcitonin-salmon-cas-47931-85-1-2d-structure-v1.png) © 2026 MolGod.org. All rights reserved. https://molgod.org/copyright/#images ## Regulatory compliance checklist Status based on: ADR 2025 (Table A), REACH Annex XVII, CLP Annex VI (harmonised classification), hazard class from the m14-spill DB, SVHC, GIS and the Polish OEL list. Principle: no data = no claim (we do NOT declare "no restrictions" without a basis). 0 required / 12 items ### SDS (Safety Data Sheet) available - **fulfilled** (met / sds) - How to comply: Requirement: current SDS compliant with Reg. 1907/2006 (REACH) Annex II, 16-section format. - [Source / form](https://echa.europa.eu/information-on-chemicals) ### Compliant CLP label (pictograms + signal word + H/P) - **to be verified** (unknown / clp_label) - How to comply: No confirmed classification for this substance — the CLP labeling obligation CANNOT BE DETERMINED. Do not assume either an obligation or its absence: verify the supplier's self-classification and the entry in CLP Annex VI before placing on the market. - [Source / form](https://eur-lex.europa.eu/legal-content/EN/TXT/?uri=CELEX:32008R1272) ### Chemical OSH training (substance-specific) - **to be verified** (unknown / bhp_training) - How to comply: Laboratory staff: initial training (general induction + job-specific) + refresher training every 5 years (or every 3 for engineering/technical positions). Documentation kept in personnel files. - [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20040180169) ### BDO registration (Polish Waste Database) - **to be verified** (unknown / bdo_registration) - How to comply: No confirmed hazard classification — the BDO status cannot be determined. Verify the CLP classification and the BDO obligation before disposal; do not assume there is no obligation. - [Source / form](https://bdo.mos.gov.pl/) ### ADR transport (international agreement) - **to be verified** (unknown / adr_transport) - How to comply: No ADR data in the MOL-GOD dataset for this CAS number. Do NOT assume there are no restrictions — before shipping, verify the transport classification in ADR 2025 (Table A) and in section 14 of the safety data sheet (SDS). - [Source / form](https://unece.org/transport/dangerous-goods/adr-2025-files) ### REACH registration (>1 t/year EU import) - **conditional** (conditional / reach_registration) - How to comply: Importers/manufacturers ≥1 tonne/year must register the substance with ECHA (technical dossier + Chemical Safety Report if ≥10 t). Check the ECHA Annex VI / registered substances list. - [Source / form](https://echa.europa.eu/regulations/reach/registration) ### SVHC notification (Substances of Very High Concern) - **to be verified** (unknown / svhc_declaration) - How to comply: SVHC status not verified against the available dataset — check the current ECHA candidate list; do not assume the absence of an entry. - [Source / form](https://echa.europa.eu/candidate-list-table) ### REACH Annex XIV (authorisation list) - **to be verified** (unknown / reach_annex_xiv) - How to comply: Not verified against the ECHA Authorisation List — check REACH Annex XIV. - [Source / form](https://echa.europa.eu/authorisation-list) ### REACH Annex XVII (use/marketing restrictions) - **to be verified** (unknown / reach_annex_xvii) - How to comply: No entry in the harmonised classification dataset (CLP Annex VI) for this CAS number — status of entries 28–30 (CMR ban) NOT VERIFIED; do not assume the restriction does not apply. The dataset of Annex XVII restrictions is also incomplete — check the consolidated Annex XVII and the harmonised CMR classification on the ECHA website. - [Source / form](https://echa.europa.eu/substances-restricted-under-reach) ### OEL — Occupational Exposure Limit in the working environment - **to be verified** (unknown / nds_workplace) - How to comply: No NDS data in the MOL-GOD dataset (incomplete set — ~41 of ~600 substances in the list). Absence does NOT mean there is no NDS — check the full list in Dz.U. 2024 poz. 1017 (Regulation of the Ministry of Family and Social Policy of 4 September 2024), and where none exists apply the OEL from EU directives or values recommended by NIOSH/ACGIH. - [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20240001017) ### GIS register (precursors / psychotropics) - **to be verified** (unknown / gis_register) - How to comply: Does not appear in the available working set of precursors (list incomplete). Absence is NOT a confirmation — verify against Annex I of Reg. (EC) 273/2004 and the GIS list before placing on the market. - [Source / form](https://www.gov.pl/web/gis) ### Safety Data Sheet in Polish - **fulfilled** (met / sds_pl) - How to comply: Requirement: SDS in Polish for trade in PL (Art. 31 REACH + Chemical Substances Act Art. 17). - [Source / form](https://isap.sejm.gov.pl/isap.nsf/DocDetails.xsp?id=WDU20012112135) ## Data sources - [PubChem CID 16220016](https://pubchem.ncbi.nlm.nih.gov/compound/16220016) - [NIST WebBook](https://webbook.nist.gov/cgi/cbook.cgi?ID=47931-85-1) - [ChEMBL](https://www.ebi.ac.uk/chembl/g/#search_results/all/query=47931-85-1) --- - Canonical: https://molgod.org/molecule/47931-85-1/ **Licence:** Chemical facts in this record come from the public sources credited above; MolGod.org claims no rights in them. The selection, arrangement and texts of this record are © MolGod.org, all rights reserved. Details: https://molgod.org/copyright/#data **How to cite:** MolGod.org. "Calcitonin Salmon (CAS 47931-85-1)." Last modified 2026-09-03. https://molgod.org/molecule/47931-85-1/ — for a chemical fact, cite its primary source (PubChem CID 16220016); for a 3D model file, cite its MolGod ID, the variant and the SHA-256 from its licence record. *Last updated: 2026-09-03 · Generator: MOL-GOD v3.12.33*