Risovalisib mesylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C24H29F3N8O5S.CH4O3S
Molecular Weight	694.704
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.COC(=O)NC1=NC=C(C2=NN3C=C(CN4CCN(CC4)S(C)(=O)=O)C=C3C(=N2)N5CCOCC5)C(=C1)C(F)(F)F

InChI

InChIKey=CYWUJTNXNJVGLY-UHFFFAOYSA-N

InChI=1S/C24H29F3N8O5S.CH4O3S/c1-39-23(36)29-20-12-18(24(25,26)27)17(13-28-20)21-30-22(33-7-9-40-10-8-33)19-11-16(15-35(19)31-21)14-32-3-5-34(6-4-32)41(2,37)38;1-5(2,3)4/h11-13,15H,3-10,14H2,1-2H3,(H,28,29,36);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

Molecular Formula	C24H29F3N8O5S
Molecular Weight	598.598
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 `Sat Dec 16 15:29:49 UTC 2023` Edited by `admin` on `Sat Dec 16 15:29:49 UTC 2023`
Record UNII	ZE4AU3I7R4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Risovalisib mesylate

Common Name

English

CARBAMIC ACID, N-(5-(6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)-, METHYL ESTER, METHANESULFONATE (1:1)

Systematic Name

English

CYH-33 MESYLATE

Code

English

METHYL N-(5-(6-((4-(METHYLSULFONYL)-1-PIPERAZINYL)METHYL)-4-(4-MORPHOLINYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-2-YL)-4-(TRIFLUOROMETHYL)-2-PYRIDINYL)CARBAMATE, METHANESULFONATE

Systematic Name

English

CYH33 METHANESULFONATE

Code

English

CYH-33 METHANESULFONATE

Code

English

Code System Code Type Description

CAS

1494684-33-1

Created by admin on Sat Dec 16 15:29:49 UTC 2023 , Edited by admin on Sat Dec 16 15:29:49 UTC 2023

PRIMARY

PUBCHEM

72550229

Created by admin on Sat Dec 16 15:29:50 UTC 2023 , Edited by admin on Sat Dec 16 15:29:50 UTC 2023

PRIMARY

FDA UNII

ZE4AU3I7R4

Created by admin on Sat Dec 16 15:29:49 UTC 2023 , Edited by admin on Sat Dec 16 15:29:49 UTC 2023

PRIMARY

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