SEZOLAMIDE HYDROCHLORIDE HEMIHYDRATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	2C11H18N2O4S3.2ClH.H2O
Molecular Weight	767.87
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SEZOLAMIDE HYDROCHLORIDE HEMIHYDRATE

Structure Search

SMILES

O.Cl.Cl.CC(C)CN[C@H]1CCS(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O.CC(C)CN[C@H]3CCS(=O)(=O)C4=C3C=C(S4)S(N)(=O)=O

InChI

InChIKey=OMDSCSHWFCXOSL-UCJAQVTMSA-N

InChI=1S/2C11H18N2O4S3.2ClH.H2O/c2*1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17;;;/h2*5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17);2*1H;1H2/t2*9-;;;/m00.../s1

HIDE SMILES / InChI

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	C11H18N2O4S3
Molecular Weight	338.467
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
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 `Fri Dec 15 15:28:51 UTC 2023` Edited by `admin` on `Fri Dec 15 15:28:51 UTC 2023`
Record UNII	03K812H9OC
Record Status	`Validated (UNII)`
Record Version