procarbazine   Click here for help

GtoPdb Ligand ID: 7278

Synonyms: Matulane® | Ro-4-6467/1 | Ro-4646711
Approved drug
procarbazine is an approved drug (FDA (1969))
Compound class: Synthetic organic
Comment: Procarbazine is a DNA alkylating agent.
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 53.16
Molecular weight 221.15
XLogP 2.58
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNNCc1ccc(cc1)C(=O)NC(C)C
Isomeric SMILES CNNCc1ccc(cc1)C(=O)NC(C)C
InChI InChI=1S/C12H19N3O/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3/h4-7,9,13-14H,8H2,1-3H3,(H,15,16)
InChI Key CPTBDICYNRMXFX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1969))
WHO Essential Medicine WHO Model List of Essential Medicines (21st List, 2019). Access PDF version.
IUPAC Name Click here for help
4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide
International Nonproprietary Names Click here for help
INN number INN
2147 procarbazine
Synonyms Click here for help
Matulane® | Ro-4-6467/1 | Ro-4646711
Database Links Click here for help
CAS Registry No. 671-16-9
ChEMBL Ligand CHEMBL1321
DrugBank Ligand DB01168
DrugCentral Ligand 2272
GtoPdb PubChem SID 178103852
PubChem CID 4915
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Wikipedia Procarbazine