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Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N3.H2O4S
Molecular Weight 307.325
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PROFLAVINE SULFATE

SMILES

OS(O)(=O)=O.NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1

InChI

InChIKey=WSFHCKWLECYVBS-UHFFFAOYSA-N
InChI=1S/C13H11N3.H2O4S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h1-7H,14-15H2;(H2,1,2,3,4)

HIDE SMILES / InChI

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

Molecular Formula C13H11N3
Molecular Weight 209.2465
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 15:13:08 UTC 2023
Edited
by admin
on Fri Dec 15 15:13:08 UTC 2023
Record UNII
2961Y60ATP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PROFLAVINE SULFATE
MI   VANDF  
Common Name English
PROFLAVIN SULFATE
Common Name English
NSC-1510
Code English
PROFLAVINE SULPHATE
Common Name English
PROFLAVINE SULFATE [MI]
Common Name English
PROFLAVINE SULFATE [VANDF]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C582
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
NCI_THESAURUS C28394
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
Code System Code Type Description
MERCK INDEX
m9157
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY Merck Index
FDA UNII
2961Y60ATP
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
NCI_THESAURUS
C76758
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
ECHA (EC/EINECS)
209-038-4
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
ChEMBL
CHEMBL55400
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
PUBCHEM
11111
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
EPA CompTox
DTXSID90203821
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
NSC
1510
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
CAS
553-30-0
Created by admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
PRIMARY
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PARENT -> SALT/SOLVATE
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ACTIVE MOIETY