Basic information
- CAS
21079-31-2- Standard SMILES
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CC(=O)O)c2cc1C- InChIKey
KDXDAXTZMKMJOW-UHFFFAOYSA-N- Molecular formula
- C14H12N4O4
- Average molar mass
- 300.27 g/mol
- Monoisotopic mass
- 300.08585488
Overview
degradation product of riboflavin
Names & identifiers
- Preferred name
- Carboxymethylflavin
- IUPAC
- 2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)acetic acid
- English name
- 7,8-Dimethyl-10-carboxymethylisoalloxazine
- Molecular formula
- C14H12N4O4
- Molecular weight
- 300.27
Names & synonyms
Carboxymethylflavin21079-31-27,8-Dimethyl-10-carboxymethylisoalloxazineDTXSID60175304RefChem:123670DTXCID5097795Riboflavin Impurity 52-(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)acetic acid2-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)acetic acid(7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2h)-yl)acetic acidSCHEMBL865071KDXDAXTZMKMJOW-UHFFFAOYSA-N
Show more names
CarboxylmethylflavinRiboflavin Impurity 2Riboflavin Impurity 10Benzo[g]pteridine-10(2H)-acetic acid, 3,4-dihydro-7,8-dimethyl-2,4-dioxo-
(7,8-Dimethyl-2,4-dioxo-3,4-dihydro-2H-benzo[g]pteridin-10-yl)-acetic acid
Database identifiers
- CAS
21079-31-2- PubChem CID
- 192986
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 612
Physicochemical properties
- Melting point
- 211 °C · 211 °C (decomp)
- Density
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- pka
- 3.33 · 3.33±0.10(Predicted)
Chemistry & industry
Suppliers9 total
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
湖北扬信医药科技有限公司15374522761 · [email protected]
南雄市普强生物科技有限公司15702096460 13602449734 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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