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Details

Stereochemistry ACHIRAL
Molecular Formula 2C10H13N3.H2O4S
Molecular Weight 448.539
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEBRISOQUIN SULFATE

SMILES

OS(O)(=O)=O.NC(=N)N1CCC2=CC=CC=C2C1.NC(=N)N3CCC4=CC=CC=C4C3

InChI

InChIKey=CAYGYVYWRIHZCQ-UHFFFAOYSA-N
InChI=1S/2C10H13N3.H2O4S/c2*11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h2*1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C10H13N3
Molecular Weight 175.2303
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 Fri Dec 15 15:01:23 UTC 2023
Edited
by admin
on Fri Dec 15 15:01:23 UTC 2023
Record UNII
Q94064N9NW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEBRISOQUIN SULFATE
MI   USAN  
USAN  
Official Name English
2(1H)-ISOQUINOLINECARBOXIMIDAMIDE, 3,4-DIHYDRO-, SULFATE (2:1)
Systematic Name English
3,4-Dihydro-2(1H)-isoquinolinecarboxamidine sulfate (2:1)
Systematic Name English
3,4-DIHYDRO-2(1H)-ISOQUINOLINECARBOXAMIDINE SULPHATE (2:1)
Systematic Name English
DEBRISOQUINE SULFATE [MART.]
Common Name English
DEBRISOQUIN SULPHATE
Common Name English
DEBRISOQUIN SULFATE [USAN]
Common Name English
NSC-139330
Code English
Debrisoquine sulfate [WHO-DD]
Common Name English
RO 5-3307/1
Code English
DEBRISOQUINE SULFATE
MART.   WHO-DD  
Common Name English
RO-5-3307/1
Code English
DEBRISOQUIN SULFATE [MI]
Common Name English
2(1H)-ISOQUINOLINECARBOXIMIDAMIDE, 3,4-DIHYDRO-, SULPHATE (2:1)
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C29713
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
Code System Code Type Description
NSC
139330
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
RXCUI
203120
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY RxNorm
ECHA (EC/EINECS)
209-472-4
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
FDA UNII
Q94064N9NW
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
PUBCHEM
11391
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
ChEMBL
CHEMBL169901
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
CAS
581-88-4
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
DRUG BANK
DBSALT000370
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
MERCK INDEX
m4116
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY Merck Index
EVMPD
SUB01567MIG
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
EPA CompTox
DTXSID2047775
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
NCI_THESAURUS
C77302
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
SMS_ID
100000087744
Created by admin on Fri Dec 15 15:01:23 UTC 2023 , Edited by admin on Fri Dec 15 15:01:23 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY