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Docarpamine

Docarpamine structure

CAS No:
74639-40-0
Formula:
C21H30N2O8S
Chemical Name:
Docarpamine
Synonyms:
Carbonic acid,C,C′-[4-[2-[[2-(acetylamino)-4-(methylthio)-1-oxobutyl]amino]ethyl]-1,2-phenylene] C,C′-diethyl ester;Carbonic acid,4-[2-[[2-(acetylamino)-4-(methylthio)-1-oxobutyl]amino]ethyl]-1,2-phenylene diethyl ester,(S)-;Carbonic acid,4-[2-[[(2S)-2-(acetylamino)-4-(methylthio)-1-oxobutyl]amino]ethyl]-1,2-phenylene diethyl ester;Docarpamine;TA 870;Tanadopa;118024-84-3
Categories:
Organic Chemistry > Amides

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Description

Docarpamine is an organic molecular entity.

Docarpamine Basic Attributes

Molecular Weight：

470.537

Exact Mass：

470.54

UNII：

RPQ57D8S72

DSSTox ID：

DTXSID1057820

Characteristics

PSA：

155

XLogP3：

4.35430

Density：

1.222g/cm3

Melting Point：

85-90 °C

Boiling Point：

731ºC at 760 mmHg

Flash Point：

395.9ºC

Refractive Index：

1.529

Toxicity：

LD50 in male, female rats (mg/kg): 1000-1400, ~1000 s.c.; in rats, dogs (mg/kg): _>2000 orally (Nishiyama, 1992)

Specific rotation：

D20 -15.6° (c = 2 in methanol)

Drug Information

MeSH：

Drugs that bind to and activate dopamine receptors. (See all compounds classified as Dopamine Agonists.)

MeSH Entry Terms：

do carpamine

Computed Properties

Molecular Weight:470.5
XLogP3:2.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:16
Exact Mass:470.17228709
Monoisotopic Mass:470.17228709
Topological Polar Surface Area:155
Heavy Atom Count:32
Complexity:619
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes