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

Details

Stereochemistry RACEMIC
Molecular Formula C14H18BrN
Molecular Weight 280.203
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-Bromophenyl)octahydroindolizine, (3R,8aR)-rel-

SMILES

[H][C@]12CC[C@H](N1CCCC2)C3=C(Br)C=CC=C3

InChI

InChIKey=NYBDMYWOGLTJBP-FZMZJTMJSA-N
InChI=1S/C14H18BrN/c15-13-7-2-1-6-12(13)14-9-8-11-5-3-4-10-16(11)14/h1-2,6-7,11,14H,3-5,8-10H2/t11-,14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H18BrN
Molecular Weight 280.203
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 08:02:43 GMT 2023
Edited
by admin
on Sat Dec 16 08:02:43 GMT 2023
Record UNII
ZJ6GA3HDY9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-Bromophenyl)octahydroindolizine, (3R,8aR)-rel-
Systematic Name English
Indolizine, 3-(2-bromophenyl)octahydro-, (3R,8aR)-rel-
Systematic Name English
McN-5195
Common Name English
rel-(3R,8aR)-3-(2-Bromophenyl)octahydroindolizine
Systematic Name English
Indolizine, 3-(2-bromophenyl)octahydro-, trans-
Systematic Name English
INDOLIZINE, 3-(2-BROMOPHENYL)OCTAHYDRO-, TRANS-(±)-
Systematic Name English
RWJ-22757
Common Name English
Code System Code Type Description
FDA UNII
ZJ6GA3HDY9
Created by admin on Sat Dec 16 08:02:43 GMT 2023 , Edited by admin on Sat Dec 16 08:02:43 GMT 2023
PRIMARY
CAS
103729-18-6
Created by admin on Sat Dec 16 08:02:43 GMT 2023 , Edited by admin on Sat Dec 16 08:02:43 GMT 2023
PRIMARY
PUBCHEM
13606113
Created by admin on Sat Dec 16 08:02:43 GMT 2023 , Edited by admin on Sat Dec 16 08:02:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID90908566
Created by admin on Sat Dec 16 08:02:43 GMT 2023 , Edited by admin on Sat Dec 16 08:02:43 GMT 2023
PRIMARY