U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H20N4O7
Molecular Weight 392.3633
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALPHA8-HYDROXYRIBOFLAVIN

SMILES

CC1=CC2=C(C=C1CO)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C3=NC(=O)NC(=O)C3=N2

InChI

InChIKey=GZKQMBNNNFCACH-MBNYWOFBSA-N
InChI=1S/C17H20N4O7/c1-7-2-9-10(3-8(7)5-22)21(4-11(24)14(26)12(25)6-23)15-13(18-9)16(27)20-17(28)19-15/h2-3,11-12,14,22-26H,4-6H2,1H3,(H,20,27,28)/t11-,12+,14-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H20N4O7
Molecular Weight 392.3633
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:54:37 GMT 2023
Edited
by admin
on Fri Dec 15 18:54:37 GMT 2023
Record UNII
MB1HLU5HZF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALPHA8-HYDROXYRIBOFLAVIN
Common Name English
RIBOFLAVIN IMPURITY D [EP IMPURITY]
Common Name English
8.ALPHA.-HYDROXYRIBOFLAVIN
Systematic Name English
8-(HYDROXYMETHYL)-7-METHYL-10-((2S,3S,4R)-2,3,4,5-TETRAHYDROXYPENTYL)BENZO(G)PTERIDINE-2,4(3H,10H)-DIONE
Systematic Name English
RIBOFLAVIN, .ALPHA.8-HYDROXY-
Common Name English
Code System Code Type Description
CAS
52134-62-0
Created by admin on Fri Dec 15 18:54:37 GMT 2023 , Edited by admin on Fri Dec 15 18:54:37 GMT 2023
PRIMARY
PUBCHEM
193866
Created by admin on Fri Dec 15 18:54:37 GMT 2023 , Edited by admin on Fri Dec 15 18:54:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID20966492
Created by admin on Fri Dec 15 18:54:37 GMT 2023 , Edited by admin on Fri Dec 15 18:54:37 GMT 2023
PRIMARY
FDA UNII
MB1HLU5HZF
Created by admin on Fri Dec 15 18:54:37 GMT 2023 , Edited by admin on Fri Dec 15 18:54:37 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
correction factors: for the calculation of content, multiply the peak areas of the following impurity by the corresponding correction factor: impurity D = 1.4
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP