.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (4S)-4-(CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-1,2,3,4-TETRAHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-8-QUINAZOLINYL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C20H17F5N2O8
Molecular Weight	508.3496
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, (4S)-4-(CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-1,2,3,4-TETRAHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-8-QUINAZOLINYL

Structure Search

SMILES

O[C@@H]1[C@@H](O)[C@H](OC2=C3NC(=O)N[C@@](C#CC4CC4)(C3=C(F)C(F)=C2)C(F)(F)F)O[C@@H]([C@H]1O)C(O)=O

InChI

InChIKey=GRVNNXGAKCKICE-UFPCOPRLSA-N

InChI=1S/C20H17F5N2O8/c21-7-5-8(34-17-14(30)12(28)13(29)15(35-17)16(31)32)11-9(10(7)22)19(20(23,24)25,27-18(33)26-11)4-3-6-1-2-6/h5-6,12-15,17,28-30H,1-2H2,(H,31,32)(H2,26,27,33)/t12-,13-,14+,15-,17+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C20H17F5N2O8
Molecular Weight	508.3496
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:18:33 GMT 2023` Edited by `admin` on `Sat Dec 16 16:18:33 GMT 2023`
Record UNII	T2TC948JCG
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

.BETA.-D-GLUCOPYRANOSIDURONIC ACID, (4S)-4-(CYCLOPROPYLETHYNYL)-5,6-DIFLUORO-1,2,3,4-TETRAHYDRO-2-OXO-4-(TRIFLUOROMETHYL)-8-QUINAZOLINYL

Systematic Name

English

Code System Code Type Description

FDA UNII

T2TC948JCG

Created by admin on Sat Dec 16 16:18:33 GMT 2023 , Edited by admin on Sat Dec 16 16:18:33 GMT 2023

PRIMARY

PUBCHEM

156596467

Created by admin on Sat Dec 16 16:18:33 GMT 2023 , Edited by admin on Sat Dec 16 16:18:33 GMT 2023

PRIMARY

CAS

540738-23-6

Created by admin on Sat Dec 16 16:18:33 GMT 2023 , Edited by admin on Sat Dec 16 16:18:33 GMT 2023

PRIMARY

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