O-GLUCURONIDE R-529

Details

Stereochemistry	EPIMERIC
Molecular Formula	C27H29FN6O11
Molecular Weight	632.5512
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(NC2=NC=C(F)C(NC3=CC=C4OC(C)(C)C(=O)NC4=N3)=N2)=CC(OC)=C1O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O

InChI

InChIKey=JWURLJIMAQXVFK-VAIUHDHXSA-N

InChI=1S/C27H29FN6O11/c1-27(2)25(40)33-22-12(45-27)5-6-15(32-22)31-21-11(28)9-29-26(34-21)30-10-7-13(41-3)19(14(8-10)42-4)43-24-18(37)16(35)17(36)20(44-24)23(38)39/h5-9,16-18,20,24,35-37H,1-4H3,(H,38,39)(H3,29,30,31,32,33,34,40)/t16-,17-,18+,20-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H29FN6O11
Molecular Weight	632.5512
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:08:23 UTC 2023` Edited by `admin` on `Sat Dec 16 16:08:23 UTC 2023`
Record UNII	37YV3YP3TP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

O-GLUCURONIDE R-529

Code

English

GLUCURONIDE R529

Common Name

English

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((4-((3,4-DIHYDRO-2,2-DIMETHYL-3-OXO-2H-PYRIDO(3,2-B)-1,4-OXAZIN-6-YL)AMINO)-5-FLUORO-2-PYRIMIDINYL)AMINO)-2,6-DIMETHOXYPHENYL

Systematic Name

English

4-((4-((3,4-DIHYDRO-2,2-DIMETHYL-3-OXO-2H-PYRIDO(3,2-B)-1,4-OXAZIN-6-YL)AMINO)-5-FLUORO-2-PYRIMIDINYL)AMINO)-2,6-DIMETHOXYPHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID

Systematic Name

English

M633

Common Name

English

Code System Code Type Description

CAS

1293999-45-7

Created by admin on Sat Dec 16 16:08:23 UTC 2023 , Edited by admin on Sat Dec 16 16:08:23 UTC 2023

PRIMARY

PUBCHEM

146675084

Created by admin on Sat Dec 16 16:08:23 UTC 2023 , Edited by admin on Sat Dec 16 16:08:23 UTC 2023

PRIMARY

FDA UNII

37YV3YP3TP

Created by admin on Sat Dec 16 16:08:23 UTC 2023 , Edited by admin on Sat Dec 16 16:08:23 UTC 2023

PRIMARY

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