NATEGLINIDE ACYL GLUCURONIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H35NO9
Molecular Weight	493.5467
Optical Activity	UNSPECIFIED
Defined Stereocenters	8 / 8
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of NATEGLINIDE ACYL GLUCURONIDE

Structure Search

SMILES

CC(C)[C@H]1CC[C@@H](CC1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O

InChI

InChIKey=YTIRWNSTJVSCRW-BBFBHBGISA-N

InChI=1S/C25H35NO9/c1-13(2)15-8-10-16(11-9-15)22(30)26-17(12-14-6-4-3-5-7-14)24(33)35-25-20(29)18(27)19(28)21(34-25)23(31)32/h3-7,13,15-21,25,27-29H,8-12H2,1-2H3,(H,26,30)(H,31,32)/t15-,16-,17-,18+,19+,20-,21+,25+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H35NO9
Molecular Weight	493.5467
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	8 / 8
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:11:07 UTC 2023` Edited by `admin` on `Sat Dec 16 14:11:07 UTC 2023`
Record UNII	QQX94P5FVU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NATEGLINIDE ACYL GLUCURONIDE

Common Name

English

(2S,3S,4S,5R,6S)-3,4,5-TRIHYDROXY-6-((2R)-2-((4-ISOPROPYLCYCLOHEXANECARBONYL)AMINO)-3-PHENYL-PROPANOYL)OXY-TETRAHYDROPYRAN-2-CARBOXYLIC ACID

Systematic Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-ESTER WITH N-((TRANS-4-(1-METHYLETHYL)CYCLOHEXYL)CARBONYL)-D-PHENYLALANINE

Systematic Name

English

Code System Code Type Description

FDA UNII

QQX94P5FVU

Created by admin on Sat Dec 16 14:11:07 UTC 2023 , Edited by admin on Sat Dec 16 14:11:07 UTC 2023

PRIMARY

CAS

183996-85-2

Created by admin on Sat Dec 16 14:11:07 UTC 2023 , Edited by admin on Sat Dec 16 14:11:07 UTC 2023

PRIMARY

Related Record Type Details


					41X3PWK4O2

NATEGLINIDE

PARENT -> METABOLITE

Comments:

CYP2C metabolizes at 70% and CYP3A4 at 30%.