U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C21H25N5O4S.ClH
Molecular Weight 479.98
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEVONEDISTAT HYDROCHLORIDE

SMILES

Cl.NS(=O)(=O)OC[C@@H]1C[C@H](C[C@@H]1O)N2C=CC3=C2N=CN=C3N[C@H]4CCC5=C4C=CC=C5

InChI

InChIKey=HJKDNNXKYODZJI-BVMPOVDASA-N
InChI=1S/C21H25N5O4S.ClH/c22-31(28,29)30-11-14-9-15(10-19(14)27)26-8-7-17-20(23-12-24-21(17)26)25-18-6-5-13-3-1-2-4-16(13)18;/h1-4,7-8,12,14-15,18-19,27H,5-6,9-11H2,(H2,22,28,29)(H,23,24,25);1H/t14-,15+,18-,19-;/m0./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
PEVONEDISTAT HYDROCHLORIDE
USAN   WHO-DD  
USAN  
Official Name English
Pevonedistat hydrochloride [WHO-DD]
Common Name English
((1S,2S,4R)-4-(4-(((1S)-2,3-DIHYDRO-1H-INDEN-1-YL)AMINO(-7H-PYRROLO(2,3-D)PYRIMIDIN-7-YL)-2-HYDROXYCYCLOPENTYL)METHYL SULFAMATE MONOHYDROCHLORIDE
Common Name English
MLN 4924 HYDROCHLORIDE
Common Name English
MLN4924 HYDROCHLORIDE
Code English
PEVONEDISTAT HYDROCHLORIDE [JAN]
Common Name English
MLN-4924-003
Code English
SULFAMIC ACID, ((1S,2S,4R)-4-(4-(((1S)-2,3-DIHYDRO-1H-INDEN-1-YL)AMINO)-7H-PYRROLO(2,3-D)PYRIMIDIN-7-YL)-2-HYDROXYCYCLOPENTYL)METHYL ESTER, HYDROCHLORIDE (1:1)
Common Name English
MLN4924-003
Code English
MLN-4924 HYDROCHLORIDE
Code English
PEVONEDISTAT HYDROCHLORIDE [USAN]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID70151270
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
NCI_THESAURUS
C166555
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
FDA UNII
28I8PCX76B
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
PUBCHEM
66576990
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
CAS
1160295-21-5
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
SMS_ID
300000037264
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
DRUG BANK
DBSALT002067
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
USAN
YY-150
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY
ChEMBL
CHEMBL1231160
Created by admin on Fri Dec 15 21:31:15 UTC 2023 , Edited by admin on Fri Dec 15 21:31:15 UTC 2023
PRIMARY