Carbidopa monohydrate

CAS 38821-49-7  ·  C₁₀H₁₆N₂O₅  ·  MW 244.24 g/mol

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3D model Carbidopa monohydrate, CAS 38821-49-7, molecular formula C₁₀H₁₆N₂O₅, molar mass 244.24 g/mol
About Carbidopa monohydrate

Carbidopa monohydrate is a chemical compound registered under number CAS 38821-49-7, with the molecular formula C₁₀H₁₆N₂O₅, and a molar mass of 244.24 g/mol.

The molecule contains 33 atoms connected by 32 chemical bonds. The full systematic IUPAC name of this compound is (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate. 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 = 117 Ų, 6 donors and 7 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 formulaC₁₀H₁₆N₂O₅
Molar mass244.24 g/mol
IUPAC(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate
SMILESC[C@](CC1=CC(=C(C=C1)O)O)(C(=O)O)NN.O
InChIKeyQTAOMKOIBXZKND-PPHPATTJSA-N
logP (XLogP3)—
PSA117 Ų
HBD / HBA6 / 7
PubChem CIDCID 38101 ↗
GHS safety

Signal word: Warning

GHS07
GHS07
Scientific literature

Related literature

3 articles · 2 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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📈 Publication timeline (number of articles: 3)

2024: number of articles 120242025: number of articles 22025

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

Synonyms
Carbidopa Monohydrate · 38821-49-7 · Carbidopa hydrate · RefChem:1081191 · DTXCID101333716 · (2S)-2-(3,4-Dihydroxybenzyl)-2-hydrazinopropanoic acid monohydrate · MFCD00889211 · S-(-)-Carbidopa monohydrate · (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid;hydrate · (S)-3-(3,4-Dihydroxyphenyl)-2-hydrazino-2-methylpropionic acid monohydrate · Carbidopa-1-wasser · Carbidopa (monohydrate) · (2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid--water (1/1) · (S)-(-)-Carbidopa Monohydrate · UNII-MNX7R8C5VO
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 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.

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. 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
  7. 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/38101
  8. 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)
Carbidopa monohydrate (CAS 38821-49-7), C₁₀H₁₆N₂O₅ - 3D ball-and-stick molecular model, engraved element symbols (C H N O), MolGod STL previewDownload image

MG-STL-38821-49-7-ENGRAVED · 408,590 △ · 19 MB · SHA-256 700a143b190953e3

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Carbidopa monohydrate (CAS 38821-49-7), C₁₀H₁₆N₂O₅ - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Carbidopa monohydrate · 38821-49-7
InChIKey
QTAOMKOIBXZKND-PPHPATTJSA-N
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Carbidopa monohydrate (CAS 38821-49-7)
License & provenance record
Carbidopa monohydrate (CAS 38821-49-7) →
MolGod molecule record
Carbidopa monohydrate →
Source data
PubChem CID 38101 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
21e1fd42aeb2df10ff4e5ef844cddb6743ae74004cfa4ba3b5b67b02830988db
MD5 (STL)
b5f49175960e804a51983ef0b87675c6
Model identifier
MG-STL-38821-49-7
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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