SCH-900875 MESYLATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H37ClN8O2.CH4O3S
Molecular Weight	649.204
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CCNC1=NN=C(O1)C2=CN=C(N3C[C@H](CC)N(C[C@H]3C)C4CCN(CC4)C(=O)C5=CC=C(Cl)C=C5)C(C)=N2

InChI

InChIKey=ZAKVPUIXPUQXLN-MYXGOWFTSA-N

InChI=1S/C28H37ClN8O2.CH4O3S/c1-5-22-17-36(25-19(4)32-24(15-31-25)26-33-34-28(39-26)30-6-2)18(3)16-37(22)23-11-13-35(14-12-23)27(38)20-7-9-21(29)10-8-20;1-5(2,3)4/h7-10,15,18,22-23H,5-6,11-14,16-17H2,1-4H3,(H,30,34);1H3,(H,2,3,4)/t18-,22+;/m1./s1

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	C28H37ClN8O2
Molecular Weight	553.099
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:30:23 GMT 2023` Edited by `admin` on `Fri Dec 15 16:30:23 GMT 2023`
Record UNII	I2ZH4JH8JV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCH-900875 MESYLATE

Code

English

Code System Code Type Description

PUBCHEM

44124501

Created by admin on Fri Dec 15 16:30:23 GMT 2023 , Edited by admin on Fri Dec 15 16:30:23 GMT 2023

PRIMARY

CAS

1161772-00-4

Created by admin on Fri Dec 15 16:30:23 GMT 2023 , Edited by admin on Fri Dec 15 16:30:23 GMT 2023

NON-SPECIFIC STOICHIOMETRY

FDA UNII

I2ZH4JH8JV

Created by admin on Fri Dec 15 16:30:23 GMT 2023 , Edited by admin on Fri Dec 15 16:30:23 GMT 2023

PRIMARY

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