CD-1790

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H27N7O3
Molecular Weight	473.527
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC#CCN1C(=NC2=C1C(=O)N(CC3=NC(C)=C4C=CC=CC4=N3)C(=O)N2C)N5CCC[C@H](O)C5

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	473.527
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 `Fri Dec 15 19:00:58 UTC 2023` Edited by `admin` on `Fri Dec 15 19:00:58 UTC 2023`
Record UNII	L920390BEX
Record Status	`Validated (UNII)`
Record Version

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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 Fri Dec 15 19:00:58 UTC 2023 , Edited by admin on Fri Dec 15 19:00:58 UTC 2023

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PUBCHEM

72202338

Created by admin on Fri Dec 15 19:00:58 UTC 2023 , Edited by admin on Fri Dec 15 19:00:58 UTC 2023

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CAS

1620278-39-8

Created by admin on Fri Dec 15 19:00:58 UTC 2023 , Edited by admin on Fri Dec 15 19:00:58 UTC 2023

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