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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H27N7O3S.ClH
Molecular Weight 481.999
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CERDULATINIB HYDROCHLORIDE

SMILES

Cl.CCS(=O)(=O)N1CCN(CC1)C2=CC=C(NC3=NC=C(C(N)=O)C(NC4CC4)=N3)C=C2

InChI

InChIKey=IYULGYKOHUAYCG-UHFFFAOYSA-N
InChI=1S/C20H27N7O3S.ClH/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14;/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C20H27N7O3S
Molecular Weight 445.538
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 14:51:21 UTC 2023
Edited
by admin
on Sat Dec 16 14:51:21 UTC 2023
Record UNII
L1KRM66Y4X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CERDULATINIB HYDROCHLORIDE
Common Name English
5-PYRIMIDINECARBOXAMIDE, 4-(CYCLOPROPYLAMINO)-2-((4-(4-(ETHYLSULFONYL)-1-PIPERAZINYL)PHENYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
RVT-502 HYDROCHLORIDE
Code English
PRT062070
Code English
Code System Code Type Description
CAS
1369761-01-2
Created by admin on Sat Dec 16 14:51:21 UTC 2023 , Edited by admin on Sat Dec 16 14:51:21 UTC 2023
PRIMARY
PUBCHEM
56960607
Created by admin on Sat Dec 16 14:51:21 UTC 2023 , Edited by admin on Sat Dec 16 14:51:21 UTC 2023
PRIMARY
FDA UNII
L1KRM66Y4X
Created by admin on Sat Dec 16 14:51:21 UTC 2023 , Edited by admin on Sat Dec 16 14:51:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY