procarbazine   

GtoPdb Ligand ID: 7278

Synonyms: Matulane® | Ro-4-6467/1 | Ro-4646711
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
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
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
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
4-[(2-methylhydrazin-1-yl)methyl]-N-(propan-2-yl)benzamide
International Nonproprietary Names
INN number INN
2147 procarbazine
Synonyms
Matulane® | Ro-4-6467/1 | Ro-4646711
Database Links
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