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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H27F3N2O4
Molecular Weight 464.4774
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SQ-31765 FREE BASE

SMILES

COC1=CC=C(C=C1)[C@@H]2CC3=C(C=CC=C3C(F)(F)F)N(CCN(C)C)C(=O)[C@@H]2OC(C)=O

InChI

InChIKey=GZJHZWDNNABIOE-PGRDOPGGSA-N
InChI=1S/C24H27F3N2O4/c1-15(30)33-22-18(16-8-10-17(32-4)11-9-16)14-19-20(24(25,26)27)6-5-7-21(19)29(23(22)31)13-12-28(2)3/h5-11,18,22H,12-14H2,1-4H3/t18-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H27F3N2O4
Molecular Weight 464.4774
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 01:46:07 GMT 2023
Edited
by admin
on Sat Dec 16 01:46:07 GMT 2023
Record UNII
L83603JAQO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SQ-31765 FREE BASE
Common Name English
2H-1-BENZAZEPIN-2-ONE, 3-(ACETYLOXY)-1-(2-(DIMETHYLAMINO)ETHYL)-1,3,4,5-TETRAHYDRO-4-(4-METHOXYPHENYL)-6-(TRIFLUOROMETHYL)-, (3R,4S)-
Systematic Name English
Code System Code Type Description
FDA UNII
L83603JAQO
Created by admin on Sat Dec 16 01:46:08 GMT 2023 , Edited by admin on Sat Dec 16 01:46:08 GMT 2023
PRIMARY
PUBCHEM
130534
Created by admin on Sat Dec 16 01:46:08 GMT 2023 , Edited by admin on Sat Dec 16 01:46:08 GMT 2023
PRIMARY
CAS
138383-07-0
Created by admin on Sat Dec 16 01:46:08 GMT 2023 , Edited by admin on Sat Dec 16 01:46:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID00160653
Created by admin on Sat Dec 16 01:46:08 GMT 2023 , Edited by admin on Sat Dec 16 01:46:08 GMT 2023
PRIMARY
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