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Details

Stereochemistry ACHIRAL
Molecular Formula C21H24BrN3O3S.2CH4O3S.H2O
Molecular Weight 688.629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MASUPIRDINE DIMESYLATE MONOHYDRATE

SMILES

O.CS(O)(=O)=O.CS(O)(=O)=O.COC1=CC2=C(C=C1)N(C=C2CN3CCN(C)CC3)S(=O)(=O)C4=CC=CC=C4Br

InChI

InChIKey=XKDCUJBWVGDNSH-UHFFFAOYSA-N
InChI=1S/C21H24BrN3O3S.2CH4O3S.H2O/c1-23-9-11-24(12-10-23)14-16-15-25(20-8-7-17(28-2)13-18(16)20)29(26,27)21-6-4-3-5-19(21)22;2*1-5(2,3)4;/h3-8,13,15H,9-12,14H2,1-2H3;2*1H3,(H,2,3,4);1H2

HIDE SMILES / InChI

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

Molecular Formula C21H24BrN3O3S
Molecular Weight 478.403
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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:51:04 GMT 2023
Edited
by admin
on Sat Dec 16 12:51:04 GMT 2023
Record UNII
9816MUD84T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MASUPIRDINE DIMESYLATE MONOHYDRATE
Common Name English
SUVN-502 DIMESYLATE MONOHYDRATE
Common Name English
Code System Code Type Description
DRUG BANK
DBSALT002613
Created by admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
PRIMARY
CAS
1791396-45-6
Created by admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
PRIMARY
PUBCHEM
91809235
Created by admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
PRIMARY
FDA UNII
9816MUD84T
Created by admin on Sat Dec 16 12:51:04 GMT 2023 , Edited by admin on Sat Dec 16 12:51:04 GMT 2023
PRIMARY
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