Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-chloro-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

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H26ClN5O5S
Molecular Weight	471.958
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-chloro-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

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(Cl)=N1

InChI

InChIKey=ZAHNZUXSXJZLSO-PAPYEOQZSA-N

InChI=1S/C19H26ClN5O5S/c1-5-8-31-18-21-16(20)13-17(22-18)25(24-23-13)11-9-12(28-7-6-27-10(2)26)15-14(11)29-19(3,4)30-15/h11-12,14-15H,5-9H2,1-4H3/t11-,12+,14+,15-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H26ClN5O5S
Molecular Weight	471.958
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:48:38 GMT 2025` Edited by `admin` on `Wed Apr 02 19:48:38 GMT 2025`
Record UNII	8R3SB2V2Z3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-chloro-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

Systematic Name

English

Ticagrelor Impurity 84

Preferred Name

English

Code System Code Type Description

FDA UNII

8R3SB2V2Z3

Created by admin on Wed Apr 02 19:48:38 GMT 2025 , Edited by admin on Wed Apr 02 19:48:38 GMT 2025

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PUBCHEM

117626282

Created by admin on Wed Apr 02 19:48:38 GMT 2025 , Edited by admin on Wed Apr 02 19:48:38 GMT 2025

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CAS

1628340-73-7

Created by admin on Wed Apr 02 19:48:38 GMT 2025 , Edited by admin on Wed Apr 02 19:48:38 GMT 2025

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