Basic information
- CAS
1882-26-4- Standard SMILES
CNC(=O)OCc1cccc(COC(=O)NC)n1- InChIKey
YEKQSSHBERGOJK-UHFFFAOYSA-N- Molecular formula
- C11H15N3O4
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.10625597
Overview
Pyricarbate is a member of pyridines.
Names & identifiers
- Preferred name
- Pyridinolcarbamate
- IUPAC
- [6-(methylcarbamoyloxymethyl)-2-pyridinyl]methyl N-methylcarbamate
- English name
- pyricarbate
- Molecular formula
- C11H15N3O4
- Molecular weight
- 253.25
Names & synonyms
PyridinolcarbamateRefChem:3892482,6-Pyridinedimethanol-bis-(N-methylcarbamate)Pyricarbate1882-26-4pyridinol carbamateAngininAngioxineParmidineProdectinColesterinexDuvaline
Show more names
H-3749Duaxol
VasoverinAtoverMovecilVasocilParmidine RAterosanCiclovenRavenil
Database identifiers
- CAS
1882-26-4- PubChem CID
- 4990
- DTXSID
DTXSID5045708- ChEMBL
CHEMBL1620144- ChEBI
CHEBI:32075- UNII
- 81R511UV73
- EC Number
- 217-538-9
- Nikkaji
- J3.684F
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Experimental & physicochemical properties
CosmeticsChelating
LogP0.24
Physicochemical properties
- Melting point
- 136 · 136-137°
- Boiling point
- 396.45 °C · 396.45°C (rough estimate)
- Density
- 1.2549 · 1.2549 (rough estimate)
- refractive index
- 1.493 · 1.4930 (estimate)
- pka
- 11.99 · 11.99±0.46(Predicted)
- Cosmetics Ingredients Functions
- CHELATINGSKIN CONDITIONING
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 81 R511UV73 · 81R511UV73
- HazardClass
- IRRITANT
- Toxicity
- 50 in · LD50 in mice, rats, rabbits, dogs (mg/kg): 4500, 3400, 5200, 1000 orally (Shimamoto)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - 2,6-Pyridinedimethanol, bis(methylcarbamate) (ester): Human health tier I assessment
Safety data
- Toxicity
- LD50 in mice, rats, rabbits, dogs (mg/kg): 4500, 3400, 5200, 1000 orally (Shimamoto)
- hazard_class
- IRRITANT
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationSubstances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.
Uses & manufacturing
Use ClassificationCosmetics -> Chelating
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
海南骅翔医药科技有限公司18389863383 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Additional notes
DefinitionChEBI: Pyricarbate is a member of pyridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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