Dasatinib Laurylsulfate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H26ClN7O2S.C12H26O4S
Molecular Weight	754.403
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCCCCOS(O)(=O)=O.CC1=NC(NC2=NC=C(S2)C(=O)NC3=C(Cl)C=CC=C3C)=CC(=N1)N4CCN(CCO)CC4

InChI

InChIKey=SWMPKFFMQAIAEW-UHFFFAOYSA-N

InChI=1S/C22H26ClN7O2S.C12H26O4S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27);2-12H2,1H3,(H,13,14,15)

HIDE SMILES / InChI

Molecular Formula	C22H26ClN7O2S
Molecular Weight	488.006
Charge	0
Count

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

Molecular Formula	C12H26O4S
Molecular Weight	266.397
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 15:25:14 UTC 2023` Edited by `admin` on `Sat Dec 16 15:25:14 UTC 2023`
Record UNII	FY77PS0C4O
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Dasatinib Laurylsulfate

Official Name

English

DASATINIB LAURYLSULFATE [USAN]

Common Name

English

C078D

Code

English

N-(2-Chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)thiazole-5-carboxamide dodecyl sulfate

Systematic Name

English

DASATINIB MONOLAURYL SULFATE

Common Name

English

Sulfuric acid, monododecyl ester, compd. with N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide (1:1)

Systematic Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

888722