LINAGLIPTIN N-BOC IMPURITY

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C30H36N8O4
Molecular Weight	572.658
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=NC4=CC=CC=C4C(C)=N3)C(=O)N2C)N5CCC[C@H](C5)NC(=O)OC(C)(C)C

InChI

InChIKey=PQEIZFATTRGTNW-HXUWFJFHSA-N

InChI=1S/C30H36N8O4/c1-7-8-16-37-24-25(34-27(37)36-15-11-12-20(17-36)32-28(40)42-30(3,4)5)35(6)29(41)38(26(24)39)18-23-31-19(2)21-13-9-10-14-22(21)33-23/h9-10,13-14,20H,11-12,15-18H2,1-6H3,(H,32,40)/t20-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C30H36N8O4
Molecular Weight	572.658
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 Dec 16 18:47:58 UTC 2023` Edited by `admin` on `Sat Dec 16 18:47:58 UTC 2023`
Record UNII	N3W7W93LXJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LINAGLIPTIN N-BOC IMPURITY

Common Name

English

CARBAMIC ACID, N-((3R)-1-(7-(2-BUTYN-1-YL)-2,3,6,7-TETRAHYDRO-3-METHYL-1-((4-METHYL-2-QUINAZOLINYL)METHYL)-2,6-DIOXO-1H-PURIN-8-YL)-3-PIPERIDINYL)-, 1,1-DIMETHYLETHYL ESTER

Systematic Name

English

Code System Code Type Description

FDA UNII

N3W7W93LXJ

Created by admin on Sat Dec 16 18:47:58 UTC 2023 , Edited by admin on Sat Dec 16 18:47:58 UTC 2023

PRIMARY

EPA CompTox

DTXSID80109974

Created by admin on Sat Dec 16 18:47:58 UTC 2023 , Edited by admin on Sat Dec 16 18:47:58 UTC 2023

PRIMARY

CAS

668273-75-4

Created by admin on Sat Dec 16 18:47:58 UTC 2023 , Edited by admin on Sat Dec 16 18:47:58 UTC 2023

PRIMARY

PUBCHEM

66754802

Created by admin on Sat Dec 16 18:47:58 UTC 2023 , Edited by admin on Sat Dec 16 18:47:58 UTC 2023

PRIMARY

Related Record Type Details


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LINAGLIPTIN

PARENT -> IMPURITY

Amount: