Basic information
- CAS
712-30-1- Standard SMILES
Nc1nc2ncc(C=O)nc2c(=O)[nH]1- InChIKey
LLJAQDVNMGLRBD-UHFFFAOYSA-N- Molecular formula
- C7H5N5O2
- Average molar mass
- 191.15 g/mol
- Monoisotopic mass
- 191.0443244
Overview
6-formylpterin is pterin carrying a formyl group at position 6. It has a role as an EC 1.17.3.2 (xanthine oxidase) inhibitor and a reactive oxygen species generator. It is an aldehyde and a member of pterins.
Names & identifiers
- Preferred name
- 6-Formylpterin
- IUPAC
- 2-amino-4-oxo-3H-pteridine-6-carbaldehyde
- English name
- 2-Amino-4-hydroxy-pteridine-6-carbaldehyde
- Molecular formula
- C7H5N5O2
- Molecular weight
- 191.15
Names & synonyms
6-Formylpterin712-30-1Pterin-6-aldehyde2-Amino-4-hydroxy-6-formylpteridine2-Amino-4-Oxo-3,4-Dihydropteridine-6-CarbaldehydeCHEBI:70981DTXSID20221396RefChem:85201DTXCID201438872-AMINO-6-FORMYLPTERIDIN-4-ONE2-amino-4-oxo-1H-pteridine-6-carbaldehyde6-Pteridinecarboxaldehyde,2-amino-3,4-dihydro-4-oxo-
Show more names
2-amino-4-oxo-4,8-dihydropteridine-6-carbaldehyde6-aldehydepterinPterine-6-aldehydeFolic Acid Impurity 176Formylpterin,6 Formylpterin2-Amino-6-formylpteridine-4(3H)-one
2-amino-4-oxo-1,4-dihydropteridine-6-carbaldehyde2-amino-3,4-dihydro-4-oxo-6-pteridinecarboxaldehyde2-amino-4-hydroxypteridine-6-carboxaldehyde2-AMINO-4-HYDROXY-PTERIDINE-6-CARBALDEHYDECHEMBL33142062-amino-4-hydroxy-6-pteridylcarboxaldehyde2-amino-4-hydroxy-6-pteridinecarboxaldehyde2-amino-1,4-dihydro-4-oxo-6-pteridinecarboxaldehyde
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 280 °C · 280 °C (decomp)
- Boiling point
- 398.6 · 398.6±52.0 °C(Predicted)
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- pka
- 2 · pKa 2.0(H2O,t undefined,I=0.1) (Uncertain)
- form
- A crystalline solid
- color
- Light yellow to brown
- biological source
- synthetic
- Major Application
- metabolomics
- UNSPSC Code
- 12352005 · 12352005
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usespteridine derivative, may act as an inhibitor to enzymes involved in ROS management
Upstream & downstream products
Upstream raw materials
Suppliers83 total
上海康恩博医药科技有限公司17510465506 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
云南苏理生物医药科技有限公司0871-68355600 18787766125
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
江苏星科元信息科技有限公司400-605-7200 15335295587
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Related reactions
1 records
Compound notes
Loading…