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Details

Stereochemistry ACHIRAL
Molecular Formula C25H30N6O2.C2H6O4S
Molecular Weight 572.676
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DALPICICLIB ISETHIONATE

SMILES

OCCS(O)(=O)=O.CC(=O)C1=C(C)C2=C(N=C(NC3=CC=C(C=N3)C4CCNCC4)N=C2)N(C5CCCC5)C1=O

InChI

InChIKey=IWHGWNIWQZCOIR-UHFFFAOYSA-N
InChI=1S/C25H30N6O2.C2H6O4S/c1-15-20-14-28-25(29-21-8-7-18(13-27-21)17-9-11-26-12-10-17)30-23(20)31(19-5-3-4-6-19)24(33)22(15)16(2)32;3-1-2-7(4,5)6/h7-8,13-14,17,19,26H,3-6,9-12H2,1-2H3,(H,27,28,29,30);3H,1-2H2,(H,4,5,6)

HIDE SMILES / InChI

Approval Year

Name Type Language
DALPICICLIB ISETHIONATE
Common Name English
DALPICICLIB ISETIONATE
Common Name English
ETHANESULFONIC ACID, 2-HYDROXY-, COMPD. WITH 6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(4-PIPERIDINYL)-2-PYRIDINYL)AMINO)PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE (1:1)
Systematic Name English
6-ACETYL-8-CYCLOPENTYL-5-METHYL-2-((5-(PIPERIDIN-4-YL)PYRID-2-YL)AMINO)PYRIDO(2,3-D)PYRIMIDINE-7(8H)-ONE HYDROXYETHYL SULFONATE
Systematic Name English
Code System Code Type Description
PUBCHEM
132211171
Created by admin on Sat Dec 16 16:39:02 GMT 2023 , Edited by admin on Sat Dec 16 16:39:02 GMT 2023
PRIMARY
CAS
1980822-14-7
Created by admin on Sat Dec 16 16:39:02 GMT 2023 , Edited by admin on Sat Dec 16 16:39:02 GMT 2023
PRIMARY
FDA UNII
24DCK9FQ92
Created by admin on Sat Dec 16 16:39:02 GMT 2023 , Edited by admin on Sat Dec 16 16:39:02 GMT 2023
PRIMARY
SMS_ID
300000047632
Created by admin on Sat Dec 16 16:39:02 GMT 2023 , Edited by admin on Sat Dec 16 16:39:02 GMT 2023
PRIMARY