DALPICICLIB ISETHIONATE

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 Search

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

Molecular Formula	C25H30N6O2
Molecular Weight	446.5447
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C2H6O4S
Molecular Weight	126.132
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 16:39:01 UTC 2023` Edited by `admin` on `Sat Dec 16 16:39:01 UTC 2023`
Record UNII	24DCK9FQ92
Record Status	`Validated (UNII)`
Record Version

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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 UTC 2023 , Edited by admin on Sat Dec 16 16:39:02 UTC 2023

PRIMARY

CAS

1980822-14-7

Created by admin on Sat Dec 16 16:39:02 UTC 2023 , Edited by admin on Sat Dec 16 16:39:02 UTC 2023

PRIMARY

FDA UNII

24DCK9FQ92

Created by admin on Sat Dec 16 16:39:02 UTC 2023 , Edited by admin on Sat Dec 16 16:39:02 UTC 2023

PRIMARY

SMS_ID

300000047632

Created by admin on Sat Dec 16 16:39:02 UTC 2023 , Edited by admin on Sat Dec 16 16:39:02 UTC 2023

PRIMARY

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