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Carboprost

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Name

Carboprost

EINECS N/A
CAS No. 35700-23-3 Density 1.139 g/cm3
PSA 97.99000 LogP 3.43300
Solubility soluble in water Melting Point 79-82 °C
Formula C21H36O5 Boiling Point 536.562 °C at 760 mmHg
Molecular Weight 368.514 Flash Point 292.373 °C
Transport Information N/A Appearance Off-white solid
Safety Risk Codes R36
Molecular Structure Molecular Structure of 35700-23-3 (Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9α,11α,13E,15S)-) Hazard Symbols Xi
Synonyms

(15S)-15-Methyl-PGF2α;(15S)-15-Methylprostaglandin F2α;15-Methyl-PGF2α;15-Methylprostaglandin F2α;U 32921;

Article Data 8

Carboprost Synthetic route

35700-21-1

U 36384

35700-23-3

Carboprost

Conditions
ConditionsYield
With water; sodium hydroxide In methanol98%

C27H50O5Si

35700-23-3

Carboprost

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 2h;85%

C30H56O5Si

35700-23-3

Carboprost

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 2h;85%

C24H44O5Si

35700-23-3

Carboprost

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 2h;85%

C27H50O5Si

35700-23-3

Carboprost

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 2h;85%

C23H40O6

35700-23-3

Carboprost

Conditions
ConditionsYield
With hydrogenchloride In water; isopropyl alcohol at 55℃; for 10h;85%

C25H44O6

35700-23-3

Carboprost

Conditions
ConditionsYield
With hydrogenchloride In water; isopropyl alcohol at 55℃; for 10h;85%

C37H54O5Si

35700-23-3

Carboprost

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; N,N-dimethyl-formamide at 20℃; for 5h;84%
17814-85-6

(4-carboxybutyl)triphenylphosphonium bromide

C16H28O4

35700-23-3

Carboprost

Conditions
ConditionsYield
With potassium tert-butylate In tetrahydrofuran at -10 - -5℃; for 12.1667h; Inert atmosphere;77%
85720-21-4

(15S)-15-methyl-PGF2α 1,11-lactone 9,15-bis(tert-butyldimethylsilyl ether)

A

35700-23-3

Carboprost

B

80029-28-3

(15S)-15-methyl-PGF2α 1,11-lactone

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In 1,2-dimethoxyethane for 16h; Heating;A 42%
B 46%

Carboprost Specification

The Carboprost, with the CAS registry number 35700-23-3, is also known as (15S)-15-Methylprostaglandin F2α. It belongs to the product categories of Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C21H36O5 and molecular weight is 368.51. What's more, its systematic name is (5E,9α,11α,13E,15S)-9,11,15-Trihydroxy-15-methylprosta-5,13-dien-1-oic acid. Its classification codes are: (1)Abortifacient Agents; (2)Abortifacient agents, nonsteroidal; (3)Hormone; (4)Human Data; (5)Oxytocic; (6)Oxytocics; (7)Reproductive Control Agents; (8)Reproductive Effect. This chemical is a nonsteroidal abortifacient agent that is effective in both the first and second trimesters of pregnancy. It is a synthetic prostaglandin analogue of PGF2α (specifically, it is 15-methyl-PGF2α) with oxytocic properties. Carboprost induces contractions and can trigger abortion in early pregnancy. It also reduces postpartum bleeding.

Physical properties of Carboprost are: (1)ACD/LogP: 2.493; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.68; (4)ACD/LogD (pH 7.4): -0.12; (5)ACD/BCF (pH 5.5): 7.12; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 83.29; (8)ACD/KOC (pH 7.4): 1.33; (9)#H bond acceptors: 5; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 15; (12)Polar Surface Area: 97.99 Å2; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 105.396 cm3; (15)Molar Volume: 323.516 cm3; (16)Polarizability: 41.782×10-24cm3; (17)Surface Tension: 47.4 dyne/cm; (18)Density: 1.139 g/cm3; (19)Flash Point: 292.373 °C; (20)Enthalpy of Vaporization: 93.532 kJ/mol; (21)Boiling Point: 536.562 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCC/C=C/C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1/C=C/[C@](O)(C)CCCCC
(2)Std. InChI: InChI=1S/C21H36O5/c1-3-4-9-13-21(2,26)14-12-17-16(18(22)15-19(17)23)10-7-5-6-8-11-20(24)25/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25)/b7-5+,14-12+/t16-,17-,18+,19-,21+/m1/s1
(3)Std. InChIKey: DLJKPYFALUEJCK-MRVZPHNRSA-N 

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