IA-4 methanesulfonate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H22ClN3OS.CH4O3S
Molecular Weight	484.032
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CS(O)(=O)=O.CCN(CC)CCN1N=C2C3=C1C=CC(CO)=C3SC4=CC(Cl)=CC=C24

InChI

InChIKey=XMBJPJHCAJZCLU-UHFFFAOYSA-N

InChI=1S/C20H22ClN3OS.CH4O3S/c1-3-23(4-2)9-10-24-16-8-5-13(12-25)20-18(16)19(22-24)15-7-6-14(21)11-17(15)26-20;1-5(2,3)4/h5-8,11,25H,3-4,9-10,12H2,1-2H3;1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	C20H22ClN3OS
Molecular Weight	387.926
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 `Mon Mar 31 22:22:18 GMT 2025` Edited by `admin` on `Mon Mar 31 22:22:18 GMT 2025`
Record UNII	Z8C4XV6QBM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2H-[1]Benzothiopyrano[4,3,2-cd]indazole-5-methanol, 8-chloro-2-[2-(diethylamino)ethyl]-, methanesulfonate

Preferred Name

English

IA-4 methanesulfonate

Common Name

English

2H-[1]Benzothiopyrano[4,3,2-cd]indazole-5-methanol, 8-chloro-2-[2-(diethylamino)ethyl]-, methanesulfonate (1:1)

Systematic Name

English

Code System Code Type Description

PUBCHEM

39375

Created by admin on Mon Mar 31 22:22:18 GMT 2025 , Edited by admin on Mon Mar 31 22:22:18 GMT 2025

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FDA UNII

Z8C4XV6QBM

Created by admin on Mon Mar 31 22:22:18 GMT 2025 , Edited by admin on Mon Mar 31 22:22:18 GMT 2025

PRIMARY

EPA CompTox

DTXSID30962869

Created by admin on Mon Mar 31 22:22:18 GMT 2025 , Edited by admin on Mon Mar 31 22:22:18 GMT 2025

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CAS

43047-59-2

Created by admin on Mon Mar 31 22:22:18 GMT 2025 , Edited by admin on Mon Mar 31 22:22:18 GMT 2025

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IA-4

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Amount: