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Details

Stereochemistry ACHIRAL
Molecular Formula C24H33N3O4S.3H2O.H2O4S
Molecular Weight 611.726
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULCARDINE SULFATE TRIHYDRATE

SMILES

O.O.O.OS(O)(=O)=O.COC1=CC=C(C=C1)S(=O)(=O)NCC2=CC(CN3CCCC3)=C(O)C(CN4CCCC4)=C2

InChI

InChIKey=XRPLNQWCUWWLGG-UHFFFAOYSA-N
InChI=1S/C24H33N3O4S.H2O4S.3H2O/c1-31-22-6-8-23(9-7-22)32(29,30)25-16-19-14-20(17-26-10-2-3-11-26)24(28)21(15-19)18-27-12-4-5-13-27;1-5(2,3)4;;;/h6-9,14-15,25,28H,2-5,10-13,16-18H2,1H3;(H2,1,2,3,4);3*1H2

HIDE SMILES / InChI

Molecular Formula C24H33N3O4S
Molecular Weight 459.602
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 H2O4S
Molecular Weight 98.078
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 14:38:52 GMT 2023
Edited
by admin
on Sat Dec 16 14:38:52 GMT 2023
Record UNII
MO1Y023BH6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULCARDINE SULFATE TRIHYDRATE
Common Name English
HBI-3000 TRIHYDRATE
Code English
BENZENESULFONAMIDE, N-((4-HYDROXY-3,5-BIS(1-PYRROLIDINYLMETHYL)PHENYL)METHYL)-4-METHOXY-, SULFATE, HYDRATE (1:1:3)
Systematic Name English
Code System Code Type Description
CAS
934843-86-4
Created by admin on Sat Dec 16 14:38:52 GMT 2023 , Edited by admin on Sat Dec 16 14:38:52 GMT 2023
PRIMARY
FDA UNII
MO1Y023BH6
Created by admin on Sat Dec 16 14:38:52 GMT 2023 , Edited by admin on Sat Dec 16 14:38:52 GMT 2023
PRIMARY
PUBCHEM
139593553
Created by admin on Sat Dec 16 14:38:52 GMT 2023 , Edited by admin on Sat Dec 16 14:38:52 GMT 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
SALT/SOLVATE -> SALT/SOLVATE
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY