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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H18ClN3O2
Molecular Weight 247.722
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEMUSTINE, TRANS-

SMILES

C[C@H]1CC[C@@H](CC1)NC(=O)N(CCCl)N=O

InChI

InChIKey=FVLVBPDQNARYJU-KYZUINATSA-N
InChI=1S/C10H18ClN3O2/c1-8-2-4-9(5-3-8)12-10(15)14(13-16)7-6-11/h8-9H,2-7H2,1H3,(H,12,15)/t8-,9-

HIDE SMILES / InChI

Approval Year

PubMed