CAS No.88475-69-8,Beraprost sodium Suppliers

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Basic Information

Molecular Structure:
CAS No.:	88475-69-8
Name:	Beraprost sodium
Article Data:	5

Formula:	C₂₄H₂₉NaO₅
Molecular Weight:	398.499
Synonyms:	1H-Cyclopenta[b]benzofuran-5-butanoicacid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-,monosodium salt (9CI);1H-Cyclopenta[b]benzofuran-5-butanoicacid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-yn-1-yl)-,sodium salt (1:1);Beraprost sodium salt;Berasus;Careload;Dorner;MDL 201129;ML 1129;Procylin;TRK 100;
Melting Point:	204-206 °C
Boiling Point:	572.1 °C at 760 mmHg
Flash Point:	193.1 °C
Appearance:	white solid
PSA:	89.82000
LogP:	1.95120

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Chemistry

Molecule structure of Beraprost sodium (CAS NO.88475-69-8):

IUPAC Name: Sodium 4-[(1R,2R,3aS,8bS)-2-hydroxy-1-[(E,3S)-3-hydroxy-4-methyloct-1-en-6-ynyl]-2,3,3a,8b-tetrahydro-1H-cyclopenta[b][1]benzofuran-5-yl]butanoate
Molecular Weight: 420.47383 g/mol
Molecular Formula: C₂₄H₂₉NaO₅
Flash Point: 193.1 °C
Enthalpy of Vaporization: 90.22 kJ/mol
Boiling Point: 572.1 °C at 760 mmHg
Vapour Pressure: 6.32E-14 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 5
Rotatable Bond Count: 8
Exact Mass: 420.191269
MonoIsotopic Mass: 420.191269
Topological Polar Surface Area: 89.8
Heavy Atom Count: 30
Canonical SMILES: CC#CCC(C)C(C=CC1C(CC2C1C3=C(O2)C(=CC=C3)CCCC(=O)[O-])O)O.[Na+]
Isomeric SMILES: CC#CCC(C)[C@@H](/C=C/[C@H]1[C@@H](C[C@H]2[C@@H]1C3=C(O2)C(=CC=C3)CCC(=O)[O-])O)O.[Na+]
InChI: InChI=1S/C24H30O5.Na/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28;/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28);/q;+1/p-1/b13-12+;/t15?,17-,19+,
20+,21-,23-;/m0./s1
InChIKey: YTCZZXIRLARSET-VJRSQJMHSA-M
Product Categories: Prostaglandins;Prostaglandin

Uses

Beraprost sodium (CAS NO.88475-69-8) is also being studied for use in avoiding reperfusion injury.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
dog	LD	oral	> 20mg/kg (20mg/kg)	BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 3456, 1989.
dog	LDLo	intravenous	40mg/kg (40mg/kg)	BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 3456, 1989.
mouse	LD50	intravenous	20700ug/kg (20.7mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 3383, 1989.
mouse	LD50	subcutaneous	26700ug/kg (26.7mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 3383, 1989.
mouse	LDLo	oral	30mg/kg (30mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER	Arzneimittel-Forschung. Drug Research. Vol. 39, Pg. 860, 1989.
rat	LD50	intravenous	12800ug/kg (12.8mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 3383, 1989.
rat	LD50	oral	11600ug/kg (11.6mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 3383, 1989.
rat	LD50	subcutaneous	7400ug/kg (7.4mg/kg)	SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: ATAXIA	Kiso to Rinsho. Clinical Report. Vol. 23, Pg. 3383, 1989.

Specification

Beraprost sodium (CAS NO.88475-69-8) is also named as 1H-Cyclopenta(b)benzofuran-5-butanoic acid, 2,3,3a,8b-tetrahydro-2-hydroxy-1-(3-hydroxy-4-methyl-1-octen-6-ynyl)-, monosodium salt ; MDL 201129 ; ML 1129 ; Sodium (+-)-(1R,2R,3aS,8bS)-2,3,3a,8b-tetrahydro-2-hydroxy-1-((E)-(3S,4RS)-3-hydroxy-4-methyl-1-octen-6-ynyl)-1H-cyclopenta(b)benzofuran-5-butyrate ; TRK-100 ; UNII-15K99VDU5F .