ALVELESTAT TOSYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H22F3N5O4S.C7H8O3S
Molecular Weight	717.735
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.CN2N=CC=C2C3=C(C)N(C(=O)C(=C3)C(=O)NCC4=CC=C(C=N4)S(C)(=O)=O)C5=CC(=CC=C5)C(F)(F)F

InChI

InChIKey=YLZZBCWZQPXIHL-UHFFFAOYSA-N

InChI=1S/C25H22F3N5O4S.C7H8O3S/c1-15-20(22-9-10-31-32(22)2)12-21(23(34)30-13-17-7-8-19(14-29-17)38(3,36)37)24(35)33(15)18-6-4-5-16(11-18)25(26,27)28;1-6-2-4-7(5-3-6)11(8,9)10/h4-12,14H,13H2,1-3H3,(H,30,34);2-5H,1H3,(H,8,9,10)

HIDE SMILES / InChI

Molecular Formula	C25H22F3N5O4S
Molecular Weight	545.533
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C7H8O3S
Molecular Weight	172.202
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:38:56 UTC 2023` Edited by `admin` on `Fri Dec 15 19:38:56 UTC 2023`
Record UNII	E1B3T25UM9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALVELESTAT TOSYLATE

Common Name

English

ALVELESTAT TOSILATE

Common Name

English

3-PYRIDINECARBOXAMIDE, 1,2-DIHYDRO-6-METHYL-5-(1-METHYL-1H-PYRAZOL-5-YL)-N-((5-(METHYLSULFONYL)-2-PYRIDINYL)METHYL)-2-OXO-1-(3-(TRIFLUOROMETHYL)PHENYL)-, 4-METHYLBENZENESULFONATE (1:1)

Common Name

English

AZD-9668 TOSYLATE

Code

English

Code System Code Type Description

CAS

1240425-05-1

Created by admin on Fri Dec 15 19:38:56 UTC 2023 , Edited by admin on Fri Dec 15 19:38:56 UTC 2023

PRIMARY

PUBCHEM

46861622

Created by admin on Fri Dec 15 19:38:56 UTC 2023 , Edited by admin on Fri Dec 15 19:38:56 UTC 2023

PRIMARY

FDA UNII

E1B3T25UM9

Created by admin on Fri Dec 15 19:38:56 UTC 2023 , Edited by admin on Fri Dec 15 19:38:56 UTC 2023

PRIMARY

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