Basic information
- CAS
655-35-6- Standard SMILES
CCOC(=O)COc1ccc2c(C)c(CCN(CC)CC)c(=O)oc2c1- InChIKey
KLOIYEQEVSIOOO-UHFFFAOYSA-N- Molecular formula
- C20H27NO5
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.18892296
Overview
Carbocromen is a member of coumarins.
Names & identifiers
- Preferred name
- Chromonar
- IUPAC
- ethyl 2-[3-[2-(diethylamino)ethyl]-4-methyl-2-oxochromen-7-yl]oxyacetate
- English name
- CARBOCROMEN
- Molecular formula
- C20H27NO5
- Molecular weight
- 361.43
Names & synonyms
CarbocromenChromonarCarbochromenCarbocromene804-10-4CarbochromeneCarbocromenoCarbocromenumAG-3 FREE BASER0C9NIE5JJA-27053 FREE BASENSC-110430 FREE BASE
Show more names
D07619Carbocromen (inn)Chromonar USP/EP/BPCHROMONARHYDROCHLORIDECapolomon hydrochlorideKLOIYEQEVSIOOO-UHFFFAOYSA-N
Acetic acid, ((3-(2-(diethylamino)ethyl)-4-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy)-, ethyl esterDTXSID60230301ethyl 2-({3-[2-(diethylamino)ethyl]-4-methyl-2-oxo-2H-chromen-7-yl}oxy)acetateethyl 2-((3-(2-(diethylamino)ethyl)-4-methyl-2-oxo-2H-chromen-7-yl)oxy)acetateRefChem:125915C01DX05DTXCID20152792212-356-6
Database identifiers
- CAS
655-35-6、804-10-4- PubChem CID
- 12604
- DTXSID
DTXSID60230301- ChEMBL
CHEMBL163672- ChEBI
CHEBI:135525- UNII
- R0C9NIE5JJ
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Melting point
- 220 · 220-222 °C
- Boiling point
- 488.6 · 488.6±45.0 °C(Predicted)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 8.3 · pKa 8.3 (Uncertain)
- color
- Off-White
- FDA UNII
- 0 C9NIE5JJ · R0C9NIE5JJ
- ATC code
- 1 DX05 · C01DX05
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
ATC Code
C - Cardiovascular system
QC - Cardiovascular system
MeSH Pharmacological ClassificationDrugs used to cause dilation of the blood vessels.
Applications
UsesVasodilator (coronary).
Upstream & downstream products
Upstream raw materials
Suppliers6 total
合肥翰刚医药科技有限公司+8618062405514 · [email protected]
武汉贝乐叶生物医药科技有限公司18086118078 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…