Docarpamine

Base Information

• Chemical Name: Docarpamine
• CAS No.: 74639-40-0
• Deprecated CAS: 118024-84-3
• Molecular Formula: C21H30 N2 O8 S
• Molecular Weight: 470.544
• UNII: RPQ57D8S72
• DSSTox Substance ID: DTXSID1057820
• Nikkaji Number: J23.876G
• Wikidata: Q27288234
• NCI Thesaurus Code: C65453
• ChEMBL ID: CHEMBL2106351
• Mol file: 74639-40-0.mol

Synonyms:do carpamine;docarpamine;N-(N-acetyl-L-methionyl)-O,O-bis(ethoxycarbonyl)dopamine;TA 870;TA-8704

Chemical Property of Docarpamine

Chemical Property:

• Vapor Pressure: 3.14E-21mmHg at 25°C
• Melting Point: 85-90°; mp 105-108° (Nishiyama, 1992)
• Boiling Point: 731°C at 760 mmHg
• PKA: 14.51±0.46(Predicted)
• Flash Point: 395.9°C
• PSA: 161.54000
• Density: 1.222g/cm³
• LogP: 4.35430
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 16
• Exact Mass: 470.17228709
• Heavy Atom Count: 32
• Complexity: 619

Purity/Quality:

99% ^*data from raw suppliers

DOCARPAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)OC1=C(C=C(C=C1)CCNC(=O)C(CCSC)NC(=O)C)OC(=O)OCC
• Isomeric SMILES: CCOC(=O)OC1=C(C=C(C=C1)CCNC(=O)[C@H](CCSC)NC(=O)C)OC(=O)OCC
• Description: Docarpamine is a cardiostimulant with diuretic activity launched in Japan for the treatment of circulatory insufficiency. It is an orally effective peripheral dopamine prodrug that is well absorbed from the gastrointestinal tract and converted to dopamine in vivo, which exerts renal vasodilatory and natriuretic effects by activating renal dopamine (DA1) receptors, and a positive inotropic effect by activating cardiac β1-receptors. It has been reported to be effective in treating patients with acute heart failure, shock and acute renal failure.
• Uses: Docarpamine maybe a usefule alternative to intravenous dopamine after cardiac surgery.