Methyl carboprost
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Methyl carboprost
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CAS No:
35700-21-1
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Formula:
C22H38O5
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Chemical Name:
Methyl carboprost
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Synonyms:
Prosta-5,13-dien-1-oic acid,9,11,15-trihydroxy-15-methyl-,methyl ester,(5Z,9α,11α,13E,15S)-;(15S)-15-Methyl-PGF2α methyl ester;(15S)-15-Methylprostaglandin F2α methyl ester;U 36384;Methyl carboprost;cis-Methyl carboprost;Carboprost methyl ester;98114-69-3;37467-76-8
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CAS No:
Characteristics
86.99000
3.05
1.1±0.1 g/cm3
55-56 °C
501.7±50.0 °C at 760 mmHg
162.2±23.6 °C
1.545
D +24° (c = 0.81 in ethanol)
Safety Information
|Danger|H301 (75%): Toxic if swallowed [Danger Acute toxicity, oral]|P201, P202, P261, P264, P270, P271, P272, P280, P281, P301+P310, P302+P352, P304+P340, P305+P351+P338, P308+P313, P310, P312, P321, P330, P333+P313, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 4 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methyl carboprost Use and Manufacturing
15(S)-15-methyl PGF2α methyl ester is a derivative of 15(S)-15-methyl PGF2α with increased membrane permeability. Hydrolysis of the methyl ester in vivo releases the biologically active 15(S)-15-methyl PGF2α, which is a potent uterine stimulant and abortifacient.
Fatty Acyls [FA] -> Eicosanoids [FA03] -> Prostaglandins [FA0301]
Computed Properties
Molecular Weight:382.5
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:13
Exact Mass:382.27192431
Monoisotopic Mass:382.27192431
Topological Polar Surface Area:87
Heavy Atom Count:27
Complexity:487
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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