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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H13N
Molecular Weight 159.2276
Optical Activity NONE
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,5-METHANO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE

SMILES

C1[C@H]2CNC[C@@H]1C3=CC=CC=C23

InChI

InChIKey=COMHUAMOJSTCMM-DTORHVGOSA-N
InChI=1S/C11H13N/c1-2-4-11-9-5-8(6-12-7-9)10(11)3-1/h1-4,8-9,12H,5-7H2/t8-,9+

HIDE SMILES / InChI

Molecular Formula C11H13N
Molecular Weight 159.2276
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 16:59:29 GMT 2023
Edited
by admin
on Sat Dec 16 16:59:29 GMT 2023
Record UNII
R5BK32EZX6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,5-METHANO-2,3,4,5-TETRAHYDRO-1H-3-BENZAZEPINE
Systematic Name English
1,5-METHANO-3-BENZAZEPANE
Systematic Name English
1,5-METHANO-1H-3-BENZAZEPINE, 2,3,4,5-TETRAHYDRO-
Systematic Name English
2,3,4,5-TETRAHYDRO-1,5-METHANO-1H-3-BENZAZEPINE
Systematic Name English
Code System Code Type Description
CAS
69718-72-5
Created by admin on Sat Dec 16 16:59:30 GMT 2023 , Edited by admin on Sat Dec 16 16:59:30 GMT 2023
PRIMARY
PUBCHEM
11232816
Created by admin on Sat Dec 16 16:59:30 GMT 2023 , Edited by admin on Sat Dec 16 16:59:30 GMT 2023
PRIMARY
EPA CompTox
DTXSID40698122
Created by admin on Sat Dec 16 16:59:30 GMT 2023 , Edited by admin on Sat Dec 16 16:59:30 GMT 2023
PRIMARY
FDA UNII
R5BK32EZX6
Created by admin on Sat Dec 16 16:59:30 GMT 2023 , Edited by admin on Sat Dec 16 16:59:30 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Related Record Type Details
ACTIVE MOIETY