ENTOSPLETINIB DIMESYLATE HEMIHYDRATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	2C23H21N7O.4CH4O3S.H2O
Molecular Weight	1225.356
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ENTOSPLETINIB DIMESYLATE HEMIHYDRATE

Structure Search

SMILES

O.CS(O)(=O)=O.CS(O)(=O)=O.CS(O)(=O)=O.CS(O)(=O)=O.C1CN(CCO1)C2=CC=C(NC3=NC(=CN4C=CN=C34)C5=CC=C6C=NNC6=C5)C=C2.C7CN(CCO7)C8=CC=C(NC9=NC(=CN%10C=CN=C9%10)C%11=CC=C%12C=NNC%12=C%11)C=C8

InChI

InChIKey=ZWWMUTXYOBTAPV-UHFFFAOYSA-N

InChI=1S/2C23H21N7O.4CH4O3S.H2O/c2*1-2-17-14-25-28-20(17)13-16(1)21-15-30-8-7-24-23(30)22(27-21)26-18-3-5-19(6-4-18)29-9-11-31-12-10-29;4*1-5(2,3)4;/h2*1-8,13-15H,9-12H2,(H,25,28)(H,26,27);4*1H3,(H,2,3,4);1H2

HIDE SMILES / InChI

Molecular Formula	C23H21N7O
Molecular Weight	411.4591
Charge	0
Count

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

Molecular Formula	H2O
Molecular Weight	18.0153
Charge	0
Count

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

Molecular Formula	CH4O3S
Molecular Weight	96.106
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 09:40:27 UTC 2023` Edited by `admin` on `Sat Dec 16 09:40:27 UTC 2023`
Record UNII	5H88K2AQ3R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ENTOSPLETINIB DIMESYLATE HEMIHYDRATE

Common Name

English

IMIDAZO(1,2-A)PYRAZIN-8-AMINE, 6-(1H-INDAZOL-6-YL)-N-(4-(4-MORPHOLINYL)PHENYL)-, METHANESULFONATE, HYDRATE (2:4:1)

Systematic Name

English

Code System Code Type Description

CAS

1648797-47-0

Created by admin on Sat Dec 16 09:40:27 UTC 2023 , Edited by admin on Sat Dec 16 09:40:27 UTC 2023

PRIMARY

PUBCHEM

123133449

Created by admin on Sat Dec 16 09:40:27 UTC 2023 , Edited by admin on Sat Dec 16 09:40:27 UTC 2023

PRIMARY

FDA UNII

5H88K2AQ3R

Created by admin on Sat Dec 16 09:40:27 UTC 2023 , Edited by admin on Sat Dec 16 09:40:27 UTC 2023

PRIMARY

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