Carboprost tromethamine supplier

Name
Carboprost tromethamine
EINECS
CAS No. 58551-69-2
Density 1.153g/cm3
Solubility
Melting Point
Formula C₂₁H₃₆O₅^.C₄H₁₁NO₃
Boiling Point 536.6 °C at 760 mmHg
Molecular Weight 489.73
Flash Point 292.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Carboprost tromethamine salt;Hemabate (TN);15(S)15-Methyl pgf2-alpha tromethamine salt;Hemabate;(15S)-15-Methylprostaglandin F(sub 2alpha) tromethamine;Prostinfenem;Carboprost tromethamine (USP);U 32921E;Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9alpha,11alpha,13E,15S)-, compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1);Prosta-5,13-dien-1-oic acid,9,11,15-trihydroxy-15-methyl-,(5Z,9R,- 11R,13E,15S)-,compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1);15(S)15-Methyl prostaglandin F2-alpha tromethamine;2-amino-2-(hydroxymethyl)propane-1,3-diol; 7-[(1R,2S,3R,5S)-3,5-dihydroxy-2-[(3S)-3-hydroxy-3-methyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid;2-amino-2-(hydroxymethyl)propane-1,3-diol; (E)-7-[(1S,3S,5R)-3,5-dihydroxy-2-[(Z,3S)-3-hydroxy-3-methyl-oct-1-enyl]cyclopentyl]hept-5-enoic acid;Prostin / 15M;Prosta-5,13-dien-1-oic acid, 9,11,15-trihydroxy-15-methyl-, (5Z,9-alpha,11-alpha,13E,15S)-, compd. with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1);Carboprost tromethamine [USAN];(Z)-7-((1R,2R,3R,5S)-3,5-Dihydroxy-2-((E)-(3S)-3-hydroxy-3-methyl-1-octenyl)cyclopentyl)-5-heptenoic acid compound with 2-amino-2-(hydroxymethyl)-1,3-propanediol (1:1);
PSA 184.70000
LogP 1.79410

Carboprost tromethamine Specification

The Carboprost tromethamine, with the CAS registry number 58551-69-2, is also known as (15S)-15-Methylprostaglandin F(sub 2alpha) tromethamine. It belongs to the product category of Prostaglandins. This chemical's molecular formula is C₂₁H₃₆O₅^.C₄H₁₁NO₃ and molecular weight is 489.64. What's more, its systematic name is (5Z,9α,11α,13E,15S)-9,11,15-trihydroxy-15-methylprosta-5,13-dien-1-oic acid - 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1). Its classification codes are: (1)Hormone; (2)Human Data; (3)Oxytocic; (4)Oxytocics; (5)Reproductive Control Agents; (6)Reproductive Effect. It is a nonsteroidal abortifacient agent that is effective in both the first and second trimesters of pregnancy.

Physical properties of Carboprost tromethamine are: (1)ACD/LogP: 2.49; (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): 7.11; (6)ACD/BCF (pH 7.4): 1; (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: 53.99 Å²; (13)Flash Point: 292.4 °C; (14)Enthalpy of Vaporization: 93.53 kJ/mol; (15)Boiling Point: 536.6 °C at 760 mmHg; (16)Vapour Pressure: 9.44E-14 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.OCC(N)(CO)CO
(2)Std. InChI: InChI=1S/C21H36O5.C4H11NO3/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;5-4(1-6,2-7)3-8/h5,7,12,14,16-19,22-23,26H,3-4,6,8-11,13,15H2,1-2H3,(H,24,25);6-8H,1-3,5H2/b7-5-,14-12+;/t16-,17-,18+,19-,21+;/m1./s1
(3)Std. InChIKey: UMMADZJLZAPZAW-XOWPVRJPSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
infant	TDLo	intramuscular	73529ng/kg (0.073529mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Journal of Toxicology, Clinical Toxicology. Vol. 37, Pg. 865, 1999.
mouse	LD50	intravenous	131mg/kg (131mg/kg)		Advances in Prostaglandin and Thromboxane Research. Vol. 4, Pg. 157, 1978.
rat	LD50	intravenous	25100ug/kg (25.1mg/kg)		Advances in Prostaglandin and Thromboxane Research. Vol. 4, Pg. 157, 1978.

Product Name

Carboprost tromethamine

Carboprost tromethamine Specification

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