DOLUTEGRAVIR O-.BETA.-D-GLUCURONIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C27H29F2N3O10
Molecular Weight	593.5301
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of DOLUTEGRAVIR O-.BETA.-D-GLUCURONIDE

Structure Search

SMILES

[H][C@]12CN3C=C(C(=O)NCC4=CC=C(F)C=C4F)C(=O)C(O[C@@H]5C[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)=C3C(=O)N1[C@H](C)CCO2

InChI

InChIKey=SSPCEQPHKUWNFL-HSSNMISVSA-N

InChI=1S/C27H29F2N3O10/c1-11-4-5-41-18-10-31-9-15(25(37)30-8-12-2-3-13(28)6-16(12)29)21(34)24(19(31)26(38)32(11)18)42-17-7-14(27(39)40)20(33)23(36)22(17)35/h2-3,6,9,11,14,17-18,20,22-23,33,35-36H,4-5,7-8,10H2,1H3,(H,30,37)(H,39,40)/t11-,14+,17-,18+,20-,22+,23+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C27H29F2N3O10
Molecular Weight	593.5301
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:09:14 GMT 2023` Edited by `admin` on `Sat Dec 16 10:09:14 GMT 2023`
Record UNII	JAW8NTAVN5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DOLUTEGRAVIR O-.BETA.-D-GLUCURONIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (4R,12.ALPHA.S)-9-((((2,4-DIFLUOROPHENYL)METHYL)AMINO)CARBONYL)-3,4,6,8,12,12.ALPHA.-HEXAHYDRO-4-METHYL-6,8-DIOXO-2H-PYRIDO(1'2':4,5)PYRAZINO(2,1-.BETA.)(1,3)OXAZIN-7-YL

Systematic Name

English

M3 OF DOLUTEGRAVIR

Common Name

English

Code System Code Type Description

CAS

1485692-21-4

Created by admin on Sat Dec 16 10:09:14 GMT 2023 , Edited by admin on Sat Dec 16 10:09:14 GMT 2023

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FDA UNII

JAW8NTAVN5

Created by admin on Sat Dec 16 10:09:14 GMT 2023 , Edited by admin on Sat Dec 16 10:09:14 GMT 2023

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PUBCHEM

131635205

Created by admin on Sat Dec 16 10:09:14 GMT 2023 , Edited by admin on Sat Dec 16 10:09:14 GMT 2023

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