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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H28N2O5
Molecular Weight 424.4895
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CGP-42454A

SMILES

[H][C@@](CCC1=CC=CC=C1)(N[C@]2([H])CCC3=C(C=CC=C3)N(CC(O)=O)C2=O)C(=O)OCC

InChI

InChIKey=XPCFTKFZXHTYIP-UXHICEINSA-N
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20+/m1/s1

HIDE SMILES / InChI

Molecular Formula C24H28N2O5
Molecular Weight 424.4895
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:42:52 GMT 2023
Edited
by admin
on Sat Dec 16 09:42:52 GMT 2023
Record UNII
15B0UK1949
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CGP-42454A
Common Name English
((3RS)-3-(((1SR)-1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-2-OXO-2,3,4,5-TETRAHYDRO-1H-1-BENZAZEPIN-1-YL)ACETIC-ACID
Systematic Name English
1H-1-BENZAZEPINE-1-ACETIC ACID, 3-((1-(ETHOXYCARBONYL)-3-PHENYLPROPYL)AMINO)-2,3,4,5-TETRAHYDRO-2-OXO-, (R-(R*,S*))-
Systematic Name English
Code System Code Type Description
PUBCHEM
36688097
Created by admin on Sat Dec 16 09:42:52 GMT 2023 , Edited by admin on Sat Dec 16 09:42:52 GMT 2023
PRIMARY
CAS
131064-74-9
Created by admin on Sat Dec 16 09:42:52 GMT 2023 , Edited by admin on Sat Dec 16 09:42:52 GMT 2023
PRIMARY
FDA UNII
15B0UK1949
Created by admin on Sat Dec 16 09:42:52 GMT 2023 , Edited by admin on Sat Dec 16 09:42:52 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
Impurity B: not more than 2.5 times the area of the principal peak in the chromatogram obtained with reference solution (c) (0.5 per cent)