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

Details

Stereochemistry RACEMIC
Molecular Formula C15H19NO2
Molecular Weight 245.3169
Optical Activity ( + / - )
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BTG-1640

SMILES

CN1O[C@@H]2CCCC(=O)[C@@H]2[C@@H]1CC3=CC=CC=C3

InChI

InChIKey=ALQXIMVNPRVWQA-CFVMTHIKSA-N
InChI=1S/C15H19NO2/c1-16-12(10-11-6-3-2-4-7-11)15-13(17)8-5-9-14(15)18-16/h2-4,6-7,12,14-15H,5,8-10H2,1H3/t12-,14+,15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C15H19NO2
Molecular Weight 245.3169
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 23:42:16 GMT 2025
Edited
by admin
on Mon Mar 31 23:42:16 GMT 2025
Record UNII
RE6A5S8FPU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BTG-1640
Common Name English
ABIO 08-01
Preferred Name English
1,2-BENZISOXAZOL-4(2H)-ONE, HEXAHYDRO-2-METHYL-3-(PHENYLMETHYL)-, (3R,3AS,7AS)-REL-
Systematic Name English
SP-1640
Code English
1,2-BENZISOXAZOL-4(2H)-ONE, HEXAHYDRO-2-METHYL-3-(PHENYLMETHYL)-, (3.ALPHA.,3A.BETA.,7A.BETA.)-
Systematic Name English
ABIO-0801
Code English
Code System Code Type Description
PUBCHEM
119058013
Created by admin on Mon Mar 31 23:42:16 GMT 2025 , Edited by admin on Mon Mar 31 23:42:16 GMT 2025
PRIMARY
MANUFACTURER PRODUCT INFORMATION
BTG-1640
Created by admin on Mon Mar 31 23:42:16 GMT 2025 , Edited by admin on Mon Mar 31 23:42:16 GMT 2025
PRIMARY
FDA UNII
RE6A5S8FPU
Created by admin on Mon Mar 31 23:42:16 GMT 2025 , Edited by admin on Mon Mar 31 23:42:16 GMT 2025
PRIMARY
CAS
152538-59-5
Created by admin on Mon Mar 31 23:42:16 GMT 2025 , Edited by admin on Mon Mar 31 23:42:16 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY