VALEMETOSTAT TOSYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H34ClN3O4.C7H8O3S
Molecular Weight	660.22
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=CC=C(C=C1)S(O)(=O)=O.[H][C@@]2(CC[C@@H](CC2)N(C)C)[C@@]3(C)OC4=C(Cl)C=C(C(=O)NCC5=C(C)C=C(C)NC5=O)C(C)=C4O3

InChI

InChIKey=JSBKGJUYSLVFPF-WJQUPPJOSA-N

InChI=1S/C26H34ClN3O4.C7H8O3S/c1-14-11-15(2)29-25(32)20(14)13-28-24(31)19-12-21(27)23-22(16(19)3)33-26(4,34-23)17-7-9-18(10-8-17)30(5)6;1-6-2-4-7(5-3-6)11(8,9)10/h11-12,17-18H,7-10,13H2,1-6H3,(H,28,31)(H,29,32);2-5H,1H3,(H,8,9,10)/t17-,18-,26-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula	C26H34ClN3O4
Molecular Weight	488.019
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:50:49 GMT 2023` Edited by `admin` on `Sat Dec 16 12:50:49 GMT 2023`
Record UNII	6N79I7X5II
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VALEMETOSTAT TOSYLATE

Common Name

English

1,3-BENZODIOXOLE-5-CARBOXAMIDE, 7-CHLORO-N-((1,2-DIHYDRO-4,6-DIMETHYL-2-OXO-3-PYRIDINYL)METHYL)-2-(TRANS-4-(DIMETHYLAMINO)CYCLOHEXYL)-2,4-DIMETHYL-, (2R)-, COMPD. WITH 4-METHYLBENZENESULFONATE (1:1)

Systematic Name

English

VALEMETOSTAT TOSILATE

Common Name

English

VALEMETOSTAT TOSILATE [JAN]

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

850021