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35700-21-1

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Basic Information
CAS No.: 35700-21-1
Name: 15(S)-15-Methyl prostaglandin
Article Data: 5
Molecular Structure:
Molecular Structure of 35700-21-1 (15(S)-15-Methyl prostaglandin)
Formula: C22H38 O5
Molecular Weight: 382.541
Synonyms: (15S)-15-Methyl-PGF2a methyl ester;(15S)-15-Methylprostaglandin F2a methyl ester; Carboprost methyl ester; Methyl carboprost; U 36384;cis-Methyl carboprost
Density: 1.096 g/cm3
Melting Point: 55-56°
Boiling Point: 501.7 °C at 760 mmHg
Flash Point: 162.2 °C
Safety: Human reproductive effects by intravaginal route: terminates pregnancy, fertility changes. Other experimental animal reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS and various prostaglandins.
PSA: 86.99000
LogP: 3.52140
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Chemistry

Molecular Formula: C22H38O5
Molar mass: 382.5341 g/mol
Density: 1.096 g/cm3
Flash Point: 162.2 °C
Index of Refraction: 1.544
Boiling Point: 501.7 °C at 760 mmHg
Vapour Pressure: 3.62E-12 mmHg at 25°C
Classification Code of 15-Methyl-15R-PGF2alpha methyl ester (CAS NO.35700-21-1): Oxytocic;Drug / Therapeutic Agent ;Hormone;Reproductive Effect
Structure of 15-Methyl-15R-PGF2alpha methyl ester (CAS NO.35700-21-1):
            
XLogP3-AA: 3.2
H-Bond Donor: 3
H-Bond Acceptor: 5
IUPAC Name of 15-Methyl-15R-PGF2alpha methyl ester (CAS NO.35700-21-1): Methyl(Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxy-3-methyloct-1-enyl]cyclopentyl]hept-5-enoate
Canonical SMILES: CCCCCC(C)(C=CC1C(CC(C1CC=CCCCC(=O)OC)O)O)O
Isomeric SMILES: CCCCC[C@@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1C/C=C\CCCC(=O)OC)O)O)O
InChI: InChI=1S/C22H38O5/c1-4-5-10-14-22(2,26)15-13-18-17(19(23)16-20(18)24)11-8-6-7-9-12-21(25)27-3/h6,8,13,15,17-20,23-24,26H,4-5,7,9-12,14,16H2,1-3H3/b8-6-,15-13+/t17-,18-,19+,20-,22+/m1/s1 
InChIKey: QQCOAAFKJZXJFP-XAYIDPIISA-N

Safety Profile

Human reproductive effects by intravaginal route: terminates pregnancy, fertility changes. Other experimental animal reproductive effects. When heated to decomposition it emits acrid smoke and irritating fumes. See also ESTERS and various prostaglandins.

Specification

 15-Methyl-15R-PGF2alpha methyl ester ,its cas register number is 35700-21-1. It also can be called Carboprost Methyl ; Carboprost methyl ester ; 15M-PGF2a ; 15(S)-15-Methyl-pgf2a Methyl Ester and (15S)-15-Methylprostaglandin F2a Methyl Ester .