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

Details

Stereochemistry ABSOLUTE
Molecular Formula C30H42N8O3.CH4O3S
Molecular Weight 658.812
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NAQUOTINIB MESYLATE

SMILES

CS(O)(=O)=O.CCC1=C(O[C@@H]2CCN(C2)C(=O)C=C)N=C(NC3=CC=C(C=C3)N4CCC(CC4)N5CCN(C)CC5)C(=N1)C(N)=O

InChI

InChIKey=ALDUQYYVQWGTMR-GJFSDDNBSA-N
InChI=1S/C30H42N8O3.CH4O3S/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37;1-5(2,3)4/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34);1H3,(H,2,3,4)/t24-;/m1./s1

HIDE SMILES / InChI

Approval Year

Name Type Language
NAQUOTINIB MESYLATE
USAN  
USAN  
Official Name English
ASP-8273 MESYLATE
Code English
NAQUOTINIB MESYLATE [USAN]
Common Name English
ASP8273 MESILATE
Code English
NAQUOTINIB MESILATE [JAN]
Common Name English
2-PYRAZINECARBOXAMIDE, 6-ETHYL-3-((4-(4-(4-METHYL-1-PIPERAZINYL)-1-PIPERIDINYL)PHENYL)AMINO)-5-(((3R)-1-(1-OXO-2-PROPEN-1-YL)-3-PYRROLIDINYL)OXY)-, METHANESULFONATE (1:1)
Systematic Name English
ASP-8273 MESILATE
Code English
Code System Code Type Description
CAS
1448237-05-5
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL3663929
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY
DRUG BANK
DBSALT002126
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY
SMS_ID
100000172566
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY
PUBCHEM
92135932
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY
USAN
CD-140
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY
FDA UNII
12T09LV21O
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY
NCI_THESAURUS
C166454
Created by admin on Sat Dec 16 05:18:28 UTC 2023 , Edited by admin on Sat Dec 16 05:18:28 UTC 2023
PRIMARY