Products for Research Use Only
RegisterLogin

1-Deazariboflavin

CAT: 0572-TRC-D203215-50MGSize: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-D203215-50MGSize:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
64183-66-0
Synonyms
1-Deazariboflavin; D-Ribitol, 1-deoxy-1-(2,3-dihydro-7,8-dimethyl-1,3-dioxopyrido[3,4-b]quinoxalin-5(1H)-yl)-; Pyrido[3,4-b]quinoxaline, D-ribitol deriv.; 1-Carba-1-deazariboflavin; 1-Deazariboflavin; Riboflavin, 1-deaza-
Hazard Statement
No Data Available
Smiles
Cc1cc2N=C3C(=O)NC(=O)C=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc1C
Molecular Formula
C18 H21 N3 O6
Molecular Weight
375.376
InChI
InChI=1S/C18H21N3O6/c1-8-3-10-11(4-9(8)2)21(6-13(23)17(26)14(24)7-22)12-5-15(25)20-18(27)16(12)19-10/h3-5,13-14,17,22-24,26H,6-7H2,1-2H3,(H,20,25,27)/t13-,14+,17-/m0/s1
Additionnal Information
IUPAC name: 7,8-dimethyl-5-[(2S,3S,4R)-2,3,4,5-tetrahydroxypentyl]pyrido[4,3-b]quinoxaline-1,3-dione
Shipping Conditions
Room Temperature

Chemical Information

1-Carba-1-deazariboflavin

structure

CAS Number64183-66-0
PubChem CID194182
IUPAC Name7,8-dimethyl-5-(2,3,4,5-tetrahydroxypentyl)pyrido[4,3-b]quinoxaline-1,3-dione
Molecular FormulaC18H21N3O6
Molecular Weight375.4
XLogP-1
Topological Polar Surface Area143
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity678
SMILES
CC1=CC2=C(C=C1C)N(C3=CC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
InChI
InChI=1S/C18H21N3O6/c1-8-3-10-11(4-9(8)2)21(6-13(23)17(26)14(24)7-22)12-5-15(25)20-18(27)16(12)19-10/h3-5,13-14,17,22-24,26H,6-7H2,1-2H3,(H,20,25,27)
InChIKey
VVSMAKSRHMDDGV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Carba-1-deazariboflavin
CAS: 64183-66-0
CID: 194182
Formula: C18H21N3O6
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP3-1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass375.14303540
Monoisotopic Mass375.14303540
Topological Polar Surface Area143 Ų
Heavy Atom Count27
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-D203220-100MG5-Deazariboflavin
TRC-D203220-10MG5-Deazariboflavin
TRC-T773995-100MG1,1,1-Trichloromethanesulfonic Acid 1,1'-Anhydride
TRC-T898588-500MG1,1,1-Trifluoropentane
TRC-T795820-100G1,1,1-Trimethoxybutane
TRC-T780050-5G1,1,1-Trifluoroacetone
TRC-K264853-10MG1,1,1-Kestopentaose
TRC-T798268-100MG1,1,1-Trichlorododcane
TRC-T795820-25G1,1,1-Trimethoxybutane
TRC-K264853-100MG1,1,1-Kestopentaose

Alternative Products

CatalogName
PCA18366-011-Deazariboflavin
sc-499766A5-Deazariboflavin
MBA33348-017,8-Didemethyl-8-hydroxy-5-deazariboflavin
419936-012,3,4,5-Tetra-O-acetyl 5-Deazariboflavin
OF59775-011,1,1,1,1-Kestoheptaose
N2864-5.11,1,1,1-Kestohexaose
1120401,1,1,1-Kestohexose

Popular Products