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CAS No.: | 88475-69-8 |
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Name: | Beraprost sodium |
Article Data: | 5 |
Molecular Structure: | |
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 |
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
Beraprost sodium (CAS NO.88475-69-8) is also being studied for use in avoiding reperfusion injury.
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. |
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 .