Basic information
- CAS
6266-58-6- Standard SMILES
CC(=O)OCCn1c2nc(=O)[nH]c(=O)c-2nc2cc(C)c(C)cc21- InChIKey
PVRDHKBVCDWVPD-UHFFFAOYSA-N- Molecular formula
- C16H16N4O4
- Average molar mass
- 328.32 g/mol
- Monoisotopic mass
- 328.117155
Overview
6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine is a flavin.
Names & identifiers
- Preferred name
- 7,8-Dimethyl-10-(2-acetoxyethyl)isoalloxazine
- IUPAC
- 2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl acetate
- English name
- 7,8-Dimethyl-10-(2-acetoxyethyl)benzo[g]pteridine-2,4(3H,10H)-dione
- Molecular formula
- C16H16N4O4
- Molecular weight
- 328.32
Names & synonyms
6266-58-67,8-Dimethyl-10-(2'-acetoxyethyl)isoalloxazine6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazineU 2112NSC-3064S0G6PB6SQ2NSC 3685410-(2-Acetoxyethyl)-7,8-dimethylisoalloxazineBRN 0353592Isoalloxazine, 10-(2-hydroxyethyl)-7,8-dimethyl-, acetateAI3-26392ISOALLOXAZINE, 10-(2-HYDROXYETHYL)-7,8-DIMETHYL-, ACETATE (ester)
Show more names
7,8-Dimethyl-10-(2-acetoxyethyl)benzo[g]pteridine-2,4(3H,10H)-dioneBenzo[g]pteridine-2,4(3H,10H)-dione, 10-[2-(acetyloxy)ethyl]-7,8-dimethyl-Acetic acid 2-(2,3,4,10-tetrahydro-7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)ethyl ester
7,8-Dimethyl-10-(2-acetoxyethyl)isoalloxazineNSC-36854UNII-S0G6PB6SQ2DTXSID50211720U-21125-26-14-00331 (Beilstein Handbook Reference)Benzo(g)pteridine-2,4(1H,3H)-dione, 10-(2-(acetyloxy)ethyl)-7,8-dimethyl-10-(2-(ACETYLOXY)ETHYL)-7,8-DIMETHYLBENZO(G)PTERIDINE-2,4(3H,10H)-DIONE
Database identifiers
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.70(Predicted)
- FDA UNII
- 0 G6PB6SQ2 · S0G6PB6SQ2
Chemistry & industry
Additional notes
DefinitionChEBI: 6,7-Dimethyl-9-(2-acetoxyethyl)isoalloxazine is a flavin.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…