Ancitabine Hydrochloride

CAS 10212-25-6  ·  C₉H₁₂ClN₃O₄  ·  MW 261.66 g/mol

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3D model Ancitabine Hydrochloride, CAS 10212-25-6, molecular formula C₉H₁₂ClN₃O₄, molar mass 261.66 g/mol

Model views

  • Ancitabine Hydrochloride (CAS 10212-25-6) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Ancitabine Hydrochloride (CAS 10212-25-6) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Ancitabine Hydrochloride (CAS 10212-25-6) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Ancitabine Hydrochloride (CAS 10212-25-6) – 2D structure, MolGod Viewer
    2D structure

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About Ancitabine Hydrochloride

Ancitabine Hydrochloride is a chemical compound registered under number CAS 10212-25-6, with the molecular formula C₉H₁₂ClN₃O₄, and a molar mass of 261.66 g/mol.

The molecule contains 29 atoms connected by 30 chemical bonds. The full systematic IUPAC name of this compound is (2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochloride. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 98.4 Ų, 4 donors and 5 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC₉H₁₂ClN₃O₄
Molar mass261.66 g/mol
IUPAC(2R,4R,5R,6S)-4-(hydroxymethyl)-10-imino-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-5-ol;hydrochloride
SMILESC1=CN2[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)OC2=NC1=N.Cl
InChIKeyKZOWNALBTMILAP-JBMRGDGGSA-N
logP (XLogP3)—
PSA98.4 Ų
HBD / HBA4 / 5
PubChem CIDCID 25050 ↗
GHS safety

Signal word: Warning

GHS07
GHS07

H315 — Causes skin irritation

H319 — Causes serious eye irritation

H335 — May cause respiratory irritation

Scientific literature

Related literature

10 articles · 8 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 10)

2014: number of articles 120142015: number of articles 12016: number of articles 22017: number of articles 120172018: number of articles 12020: number of articles 22026: number of articles 12026

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
Cyclocytidine hydrochloride · ANCITABINE HYDROCHLORIDE · 10212-25-6 · 2,2'-O-Cyclocytidine hydrochloride · 2,2'-Cyclocytidine hydrochloride · Cyclocytidine HCl · ancitabine HCl · 2,2'-Anhydrocytidine hydrochloride · 2,2'-Anhydrocytarabine hydrochloride · 2,2'-Anhydroaracytidine hydrochloride · NSC-145668 · 2,2'-Anhydroarabinosylcytosine hydrochloride · 3T6920M469 · CHEBI:74843 · CycloCMP hydrochloride
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94+UFF force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 2 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

1 stereo element(s) undefined in the source record (0 stereocentre(s), 1 double-bond E/Z) were assigned arbitrarily; the model shows one stereoisomer only, which may not be the naturally occurring or commercial form.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Rappe AK, Casewit CJ, Colwell KS, Goddard WA III, Skiff WM. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations. J. Am. Chem. Soc. 1992, 114, 10024-10035. doi:10.1021/ja00051a040
  7. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  8. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/25050
  9. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Ancitabine Hydrochloride (CAS 10212-25-6), C₉H₁₂ClN₃O₄ - 3D ball-and-stick molecular model, engraved element symbols (C H Cl N O), MolGod STL previewDownload image

MG-STL-10212-25-6-ENGRAVED · 374,246 △ · 18 MB · SHA-256 d7e081ac7936366e

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Ancitabine Hydrochloride (CAS 10212-25-6), C₉H₁₂ClN₃O₄ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Ancitabine Hydrochloride · 10212-25-6
InChIKey
KZOWNALBTMILAP-JBMRGDGGSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Ancitabine Hydrochloride (CAS 10212-25-6)
License & provenance record
Ancitabine Hydrochloride (CAS 10212-25-6) →
MolGod molecule record
Ancitabine Hydrochloride →
Source data
PubChem CID 25050 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
9cf7d770024fc092b8c3840a7b0d69738b5a34939255b06a7332203d8260b890
MD5 (STL)
7dbd6af3c89e5ab9fac95c932fee324e
Model identifier
MG-STL-10212-25-6
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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