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Details

Stereochemistry ACHIRAL
Molecular Formula C16H16N4O.2C2H6O4S
Molecular Weight 532.588
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of HYDROXYSTILBAMIDINE ISETHIONATE

SMILES

OCCS(O)(=O)=O.OCCS(O)(=O)=O.NC(=N)C1=CC=C(C=CC2=C(O)C=C(C=C2)C(N)=N)C=C1

InChI

InChIKey=XVTQTNAKZYLTNZ-UHFFFAOYSA-N
InChI=1S/C16H16N4O.2C2H6O4S/c17-15(18)12-5-2-10(3-6-12)1-4-11-7-8-13(16(19)20)9-14(11)21;2*3-1-2-7(4,5)6/h1-9,21H,(H3,17,18)(H3,19,20);2*3H,1-2H2,(H,4,5,6)

HIDE SMILES / InChI

Approval Year

Unknown
86413
Name Type Language
HYDROXYSTILBAMIDINE ISETHIONATE
MI   ORANGE BOOK   WHO-DD  
Systematic Name English
HYDROXYSTILBAMIDINE ISETIONATE [MART.]
Common Name English
2-HYDROXY-4,4'-STILBENEDICARBOXAMIDINE BIS(2-HYDROXYETHANESULFONATE) (SALT)
Common Name English
BENZENECARBOXIMIDAMIDE, 4-(2-(4-(AMINOIMINOMETHYL)PHENYL)ETHENYL)-3-HYDROXY-, BIS(2-HYDROXYETHANESULPHONATE) (SALT)
Common Name English
HYDROXYSTILBAMIDINE ISETHIONATE [ORANGE BOOK]
Common Name English
HYDROXYSTILBAMIDINE ISETHIONATE [MI]
Common Name English
NSC-259242
Code English
2-HYDROXY-4,4'-STILBENEDICARBOXAMIDINE BIS(2-HYDROXYETHANESULPHONATE) (SALT)
Common Name English
Hydroxystilbamidine isethionate [WHO-DD]
Common Name English
BENZENECARBOXIMIDAMIDE, 4-(2-(4-(AMINOIMINOMETHYL)PHENYL)ETHENYL)-3-HYDROXY-, BIS(2-HYDROXYETHANESULFONATE) (SALT)
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C514
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C65871
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
DRUG BANK
DB01040
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
NSC
259242
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
SMS_ID
100000086958
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
PUBCHEM
10779
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
CAS
533-22-2
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
MERCK INDEX
m6153
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY Merck Index
ChEMBL
CHEMBL1301
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
FDA UNII
0163PVD2QZ
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
EVMPD
SUB02596MIG
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
ECHA (EC/EINECS)
208-557-3
Created by admin on Fri Dec 15 14:58:54 UTC 2023 , Edited by admin on Fri Dec 15 14:58:54 UTC 2023
PRIMARY
PARENT (SALT/SOLVATE)
Structure of ISETHIONIC ACID
NIH
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