Acetoxy Ticagrelor Acetonide

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H34F2N6O5S
Molecular Weight	604.669
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Acetoxy Ticagrelor Acetonide

Structure Search

SMILES

CCCSC1=NC2=C(N=NN2[C@@H]3C[C@H](OCCOC(C)=O)[C@H]4OC(C)(C)O[C@@H]34)C(N[C@@H]5C[C@H]5C6=CC=C(F)C(F)=C6)=N1

InChI

InChIKey=NLSOWKSOHDESKM-MCHVBHGGSA-N

InChI=1S/C28H34F2N6O5S/c1-5-10-42-27-32-25(31-19-12-16(19)15-6-7-17(29)18(30)11-15)22-26(33-27)36(35-34-22)20-13-21(39-9-8-38-14(2)37)24-23(20)40-28(3,4)41-24/h6-7,11,16,19-21,23-24H,5,8-10,12-13H2,1-4H3,(H,31,32,33)/t16-,19+,20+,21-,23-,24+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H34F2N6O5S
Molecular Weight	604.669
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 `Wed Apr 02 21:17:29 GMT 2025` Edited by `admin` on `Wed Apr 02 21:17:29 GMT 2025`
Record UNII	VP682ZR9KJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-, 1-acetate

Preferred Name

English

Acetoxy Ticagrelor Acetonide

Common Name

English

Code System Code Type Description

CAS

1628340-74-8

Created by admin on Wed Apr 02 21:17:29 GMT 2025 , Edited by admin on Wed Apr 02 21:17:29 GMT 2025

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FDA UNII

VP682ZR9KJ

Created by admin on Wed Apr 02 21:17:29 GMT 2025 , Edited by admin on Wed Apr 02 21:17:29 GMT 2025

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PUBCHEM

169432968

Created by admin on Wed Apr 02 21:17:29 GMT 2025 , Edited by admin on Wed Apr 02 21:17:29 GMT 2025

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