U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C8H16ClN3O2
Molecular Weight 221.685
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENTAMUSTINE

SMILES

CC(C)(C)CNC(=O)N(CCCl)N=O

InChI

InChIKey=UOAFGUOASVSLPK-UHFFFAOYSA-N
InChI=1S/C8H16ClN3O2/c1-8(2,3)6-10-7(13)12(11-14)5-4-9/h4-6H2,1-3H3,(H,10,13)

HIDE SMILES / InChI

Molecular Formula C8H16ClN3O2
Molecular Weight 221.685
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description

Pentamustine is an alkylating agent that was developed for the treatment of cancer. However, information about the further development of this compound is not available.

Approval Year

PubMed

Substance Class Chemical
Record UNII
VB67O9FBGM
Record Status Validated (UNII)
Record Version