CD-1790

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H27N7O3
Molecular Weight	473.5279
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC#CCn1c2c(nc1N3CCC[C@@]([H])(C3)O)n(C)c(=O)n(Cc4nc(C)c5ccccc5n4)c2=O

InChI

InChIKey=QAHWUJQHJPWQGS-KRWDZBQOSA-N

InChI=1S/C25H27N7O3/c1-4-5-13-31-21-22(28-24(31)30-12-8-9-17(33)14-30)29(3)25(35)32(23(21)34)15-20-26-16(2)18-10-6-7-11-19(18)27-20/h6-7,10-11,17,33H,8-9,12-15H2,1-3H3/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C25H27N7O3
Molecular Weight	473.5279
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 Jun 26 05:15:39 UTC 2021` Edited by `admin` on `Sat Jun 26 05:15:39 UTC 2021`
Record UNII	L920390BEX
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CD-1790

Common Name

English

CD 1790

Common Name

English

LINAGLIPTIN METABOLITE M474(1)

Common Name

English

7-BUT-2-YNYL-8-(3S-HYDROXY-PIPERIDIN-1-YL)-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE

Systematic Name

English

3-DE(AMINE)-3-HYDROXY LINAGLIPTIN, (3S)-

Common Name

English

Code System Code Type Description

FDA UNII

L920390BEX

Created by admin on Sat Jun 26 05:15:39 UTC 2021 , Edited by admin on Sat Jun 26 05:15:39 UTC 2021

PRIMARY

PUBCHEM

72202338

Created by admin on Sat Jun 26 05:15:39 UTC 2021 , Edited by admin on Sat Jun 26 05:15:39 UTC 2021

PRIMARY

CAS

1620278-39-8

Created by admin on Sat Jun 26 05:15:39 UTC 2021 , Edited by admin on Sat Jun 26 05:15:39 UTC 2021

PRIMARY

Related Record Type Details


					3X29ZEJ4R2

LINAGLIPTIN

PARENT -> METABOLITE

Interaction Type:

MINOR