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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H17NO2.ClH
Molecular Weight 291.773
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SKF-38393 HYDROCHLORIDE, (S)-

SMILES

Cl.OC1=C(O)C=C2[C@@H](CNCCC2=C1)C3=CC=CC=C3

InChI

InChIKey=YEWHJCLOUYPAOH-UQKRIMTDSA-N
InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H17NO2
Molecular Weight 255.3117
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:06:18 GMT 2023
Edited
by admin
on Sat Dec 16 14:06:18 GMT 2023
Record UNII
9HG702RD4N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SKF-38393 HYDROCHLORIDE, (S)-
Code English
1H-3-BENZAZEPINE-7,8-DIOL, 2,3,4,5-TETRAHYDRO-1-PHENYL-, HYDROCHLORIDE (1:1), (1S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
12928469
Created by admin on Sat Dec 16 14:06:18 GMT 2023 , Edited by admin on Sat Dec 16 14:06:18 GMT 2023
PRIMARY
CAS
62717-94-6
Created by admin on Sat Dec 16 14:06:18 GMT 2023 , Edited by admin on Sat Dec 16 14:06:18 GMT 2023
PRIMARY
FDA UNII
9HG702RD4N
Created by admin on Sat Dec 16 14:06:18 GMT 2023 , Edited by admin on Sat Dec 16 14:06:18 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER