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Details

Stereochemistry ACHIRAL
Molecular Formula C18H21N5O5S.CH4O3S
Molecular Weight 515.561
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BIIB-513

SMILES

CS(O)(=O)=O.CS(=O)(=O)C1=CC(=CC=C1N2CCN(CC2)C(=O)C3=CC=CO3)C(=O)NC(N)=N

InChI

InChIKey=CIZHNWRBNREPCL-UHFFFAOYSA-N
InChI=1S/C18H21N5O5S.CH4O3S/c1-29(26,27)15-11-12(16(24)21-18(19)20)4-5-13(15)22-6-8-23(9-7-22)17(25)14-3-2-10-28-14;1-5(2,3)4/h2-5,10-11H,6-9H2,1H3,(H4,19,20,21,24);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C18H21N5O5S
Molecular Weight 419.455
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

PubMed

PubMed

TitleDatePubMed
An overview of inhibitors of Na(+)/H(+) exchanger.
2003-06
Substance Class Chemical
Created
by admin
on Mon Mar 31 22:40:44 GMT 2025
Edited
by admin
on Mon Mar 31 22:40:44 GMT 2025
Record UNII
Q6418LHE3S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BIIB-513
Common Name English
BENZAMIDE, N-(AMINOIMINOMETHYL)-4-(4-(2-FURANYLCARBONYL)-1-PIPERAZINYL)-3-(METHYLSULFONYL)-, METHANESULFONATE (1:1)
Preferred Name English
BENZAMIDE, N-(AMINOIMINOMETHYL)-4-(4-(2-FURANYLCARBONYL)-1-PIPERAZINYL)-3-(METHYLSULFONYL)-, MONOMETHANESULFONATE
Systematic Name English
Code System Code Type Description
CAS
265986-98-9
Created by admin on Mon Mar 31 22:40:44 GMT 2025 , Edited by admin on Mon Mar 31 22:40:44 GMT 2025
PRIMARY
PUBCHEM
6918374
Created by admin on Mon Mar 31 22:40:44 GMT 2025 , Edited by admin on Mon Mar 31 22:40:44 GMT 2025
PRIMARY
FDA UNII
Q6418LHE3S
Created by admin on Mon Mar 31 22:40:44 GMT 2025 , Edited by admin on Mon Mar 31 22:40:44 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY