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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H16BrN
Molecular Weight 362.262
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

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

SMILES

BrC1=CC=C(CN2[C@@H]3[C@H]2C4=CC=CC=C4C5=CC=CC=C35)C=C1

InChI

InChIKey=FJWOOAVKTROJIP-TYABSZSSSA-N
InChI=1S/C21H16BrN/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

Molecular Formula C21H16BrN
Molecular Weight 362.262
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:39 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:39 GMT 2023
Record UNII
6AHI0J4046
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1((4-BROMOPHENYL)METHYL)-1A,9B-DIHYDRO-1H-PHENANTHRO(9,10-B)AZIRINE
Common Name English
1H-PHENANTHRO(9,10-B)AZIRINE, 1-((4-BROMOPHENYL)METHYL)-1A,9B-DIHYDRO-
Systematic Name English
Code System Code Type Description
FDA UNII
6AHI0J4046
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY
EPA CompTox
DTXSID80925545
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY
PUBCHEM
121489809
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY
CAS
126420-93-7
Created by admin on Sat Dec 16 08:19:39 GMT 2023 , Edited by admin on Sat Dec 16 08:19:39 GMT 2023
PRIMARY