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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H16ClN
Molecular Weight 317.811
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-((4-CHLOROPHENYL)METHYL)-1A,9B-DIHYDRO-1H-PHENANTHRO(9,10-B)AZIRINE

SMILES

ClC1=CC=C(CN2[C@@H]3[C@H]2C4=C(C=CC=C4)C5=C3C=CC=C5)C=C1

InChI

InChIKey=BJXDXHVBKBXTAG-TYABSZSSSA-N
InChI=1S/C21H16ClN/c22-15-11-9-14(10-12-15)13-23-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)21(20)23/h1-12,20-21H,13H2/t20-,21+,23?

HIDE SMILES / InChI

Approval Year

Name Type Language
1-((4-CHLOROPHENYL)METHYL)-1A,9B-DIHYDRO-1H-PHENANTHRO(9,10-B)AZIRINE
Common Name English
1H-PHENANTHRO(9,10-B)AZIRINE, 1-((4-CHLOROPHENYL)METHYL)-1A,9B-DIHYDRO-
Preferred Name English
Code System Code Type Description
CAS
126370-96-5
Created by admin on Mon Mar 31 22:44:28 GMT 2025 , Edited by admin on Mon Mar 31 22:44:28 GMT 2025
PRIMARY
EPA CompTox
DTXSID80925520
Created by admin on Mon Mar 31 22:44:28 GMT 2025 , Edited by admin on Mon Mar 31 22:44:28 GMT 2025
PRIMARY
FDA UNII
39V34E6R9Y
Created by admin on Mon Mar 31 22:44:28 GMT 2025 , Edited by admin on Mon Mar 31 22:44:28 GMT 2025
PRIMARY
PUBCHEM
119057406
Created by admin on Mon Mar 31 22:44:28 GMT 2025 , Edited by admin on Mon Mar 31 22:44:28 GMT 2025
PRIMARY