SNX-5422 MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C25H30F3N5O4.CH4O3S
Molecular Weight	617.638
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CC1(C)CC2=C(C(=NN2C3=CC(N[C@H]4CC[C@@H](CC4)OC(=O)CN)=C(C=C3)C(N)=O)C(F)(F)F)C(=O)C1

InChI

InChIKey=NVGFSTMGRRADRG-IOJSEOPQSA-N

InChI=1S/C25H30F3N5O4.CH4O3S/c1-24(2)10-18-21(19(34)11-24)22(25(26,27)28)32-33(18)14-5-8-16(23(30)36)17(9-14)31-13-3-6-15(7-4-13)37-20(35)12-29;1-5(2,3)4/h5,8-9,13,15,31H,3-4,6-7,10-12,29H2,1-2H3,(H2,30,36);1H3,(H,2,3,4)/t13-,15-;

HIDE SMILES / InChI

Molecular Formula	C25H30F3N5O4
Molecular Weight	521.532
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 01:30:13 UTC 2023` Edited by `admin` on `Sat Dec 16 01:30:13 UTC 2023`
Record UNII	K3BO8V06RM
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SNX-5422 MESYLATE

Common Name

English

HSP90 INHIBITOR SNX-5422 MESYLATE

Common Name

English

GLYCINE, TRANS-4-((2-(AMINOCARBONYL)-5-(4,5,6,7-TETRAHYDRO-6,6-DIMETHYL-4-OXO-3-(TRIFLUOROMETHYL)-1H-INDAZOL-1-YL)PHENYL)AMINO)CYCLOHEXYL ESTER, METHANESULFONATE (1:1)

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C74526