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Details

Stereochemistry ACHIRAL
Molecular Formula C23H26N10O3.CH4O3S
Molecular Weight 586.623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PURINOSTAT MESYLATE

SMILES

CS(O)(=O)=O.CN(CC1=NC2=C(N=C(N=C2N1C)C3=CC=C(N)C=C3)N4CCOCC4)C5=NC=C(C=N5)C(=O)NO

InChI

InChIKey=QTSZBNQPNSJXAC-UHFFFAOYSA-N
InChI=1S/C23H26N10O3.CH4O3S/c1-31(23-25-11-15(12-26-23)22(34)30-35)13-17-27-18-20(32(17)2)28-19(14-3-5-16(24)6-4-14)29-21(18)33-7-9-36-10-8-33;1-5(2,3)4/h3-6,11-12,35H,7-10,13,24H2,1-2H3,(H,30,34);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C23H26N10O3
Molecular Weight 490.5177
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 18:02:06 UTC 2023
Edited
by admin
on Sat Dec 16 18:02:06 UTC 2023
Record UNII
WP897GX44U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PURINOSTAT MESYLATE
Common Name English
5-PYRIMIDINECARBOXAMIDE, 2-(((2-(4-AMINOPHENYL)-9-METHYL-6-(4-MORPHOLINYL)-9H-PURIN-8-YL)METHYL)METHYLAMINO)-N-HYDROXY-, MESYLATE
Systematic Name English
2-(((2-(4-AMINOPHENYL)-9-METHYL-6-(4-MORPHOLINYL)-9H-PURIN-8-YL)METHYL)METHYLAMINO)-N-HYDROXY-5-PYRIMIDINECARBOXAMIDE, MESYLATE
Systematic Name English
Code System Code Type Description
PUBCHEM
127044510
Created by admin on Sat Dec 16 18:02:07 UTC 2023 , Edited by admin on Sat Dec 16 18:02:07 UTC 2023
PRIMARY
FDA UNII
WP897GX44U
Created by admin on Sat Dec 16 18:02:07 UTC 2023 , Edited by admin on Sat Dec 16 18:02:07 UTC 2023
PRIMARY
NCI_THESAURUS
C192177
Created by admin on Sat Dec 16 18:02:07 UTC 2023 , Edited by admin on Sat Dec 16 18:02:07 UTC 2023
PRIMARY
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ACTIVE MOIETY