N-nitroso-ticagrelor

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H27F2N7O5S
Molecular Weight	551.566
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCSC1=NC(N(N=O)[C@@H]2C[C@H]2C3=CC(F)=C(F)C=C3)=C4N=NN([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)C4=N1

InChI

InChIKey=BEKGIPVWIFJRPX-FNOIDJSQSA-N

InChI=1S/C23H27F2N7O5S/c1-2-7-38-23-26-21-18(28-29-31(21)16-10-17(37-6-5-33)20(35)19(16)34)22(27-23)32(30-36)15-9-12(15)11-3-4-13(24)14(25)8-11/h3-4,8,12,15-17,19-20,33-35H,2,5-7,9-10H2,1H3/t12-,15+,16+,17-,19-,20+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H27F2N7O5S
Molecular Weight	551.566
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 18:23:00 GMT 2025` Edited by `admin` on `Wed Apr 02 18:23:00 GMT 2025`
Record UNII	UM7LVH45SL
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-nitroso-ticagrelor

Common Name

English

(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]nitrosoamino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

Preferred Name

English

1,2-Cyclopentanediol, 3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]nitrosoamino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

163203088

Created by admin on Wed Apr 02 18:23:00 GMT 2025 , Edited by admin on Wed Apr 02 18:23:00 GMT 2025

PRIMARY

CAS

2476859-55-7

Created by admin on Wed Apr 02 18:23:00 GMT 2025 , Edited by admin on Wed Apr 02 18:23:00 GMT 2025

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FDA UNII

UM7LVH45SL

Created by admin on Wed Apr 02 18:23:00 GMT 2025 , Edited by admin on Wed Apr 02 18:23:00 GMT 2025

PRIMARY

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TICAGRELOR

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Amount: