Iloprost structure, CAS 78919-13-8

Iloprost

CAS Number78919-13-8

SynonymsCILOPROST; Iloprost; Ataprostum [INN-Latin]; Ataprost; Ataprostum; Ataprost [INN]

Molecular FormulaC22H32O4

Molecular Weight360.487

Purity98.00%

Density1.2±0.1 g/cm3

Boiling Point539.2±50.0 °C at 760 mmHg

Melting Point115.7ºC

Flash Point

AppearanceColorless oil

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Cat. No.: 2A-9048286 Purity: 98.00%
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Quality Control of [ 78919-13-8 ] Purity: 98.00% SDS Specification MoL

Chemical & Physical Properties
CAS Number78919-13-8
Catalog No.2A-9048286
Chinese Name伊洛前列素
SynonymsCILOPROST; Iloprost; Ataprostum [INN-Latin]; Ataprost; Ataprostum; Ataprost [INN]
Molecular FormulaC22H32O4
Molecular Weight360.487
Purity98.00
Density1.2±0.1 g/cm3
Boiling Point539.2±50.0 °C at 760 mmHg
Melting Point115.7ºC
AppearanceColorless oil
Storage ConditionDesiccate at -20°C
ApplicationIloprost (ZK 36374) is a synthetic analog of prostacyclin PGI2.
HTC2918199090
PubChem ID7979592
SMILESCC#CCC(C)C(O)C=CC1C(O)CC2CC(=CCCCC(=O)O)CC21
InChIInChI=1S/C22H32O4/c1-3-4-7-15(2)20(23)11-10-18-19-13-16(8-5-6-9-22(25)26)12-17(19)14-21(18)24/h8,10-11,15,17-21,23-24H,5-7,9,12-14H2,1-2H3,(H,25,26)/b11-10+,16-8+/t15?,17-,18?,19-,20+,21+/m0/s1
InChI KeyHIFJCPQKFCZDDL-QSGBCQANSA-N
Use ofProperties Name iloprost Synonym More Synonyms Iloprost Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Prostaglandin Receptor Research Areas >> Endocrinology References [1]. Della Bella S, et al. Novel mode of action of iloprost: in vitro down-regulation of endothelial cell adhesion molecules. Prostaglandins Other Lipid Mediat. 2001 Jun;65(2-3):73-83. [2]. van der Giessen WJ, et al. The effect of the stable prostacyclin analogue ZK 36374 on experimental coronary thrombosis in the pig. Thromb Res. 1984 Oct 1;36(1):45-51. [3]. Addonizio VP Jr, et al. Prevention of heparin-induced thrombocytopenia during open heart surgery with iloprost (ZK36374). Surgery. 1987 Nov;102(5):796-807. Chemical & Physical Properties Molecular Formula C22H32O4 Exact Mass 360.230072 PSA 77.76000 Index of Refraction 1.629 InChIKey HIFJCPQKFCZDDL-QSGBCQANSA-N Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : Pentanoic acid, 5-(hexahydro-5-hydroxy-4-(3-hydroxy-4-methyl-1-octen- 6-ynyl)-2(1H)- pentalenylidene)- CAS REGISTRY NUMBER : 78919-13-8 LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : C22-H32-O4 MOLECULAR WEIGHT : HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 4,209,1986 TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 4,209,1986 ** OTHER MULTIPLE DOSE TOXICITY DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 21780 ug/kg/11D-I TOXIC EFFECTS : Sense Organs and Special Senses (Eye) - lacrimation Behavioral - somnolence (general depressed activity) Blood - other changes REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 4,209,1986 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : TOXIC EFFECTS : Related to Chronic Data - death REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 4,209,1986 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Primate - monkey DOSE/DURATION : 4760 ug/kg/28D-C TOXIC EFFECTS : Behavioral - somnolence (general depressed activity) Vascular - BP lowering not characterized in autonomic section Related to Chronic Data - death REFERENCE : NCDREP New Cardiovascular Drugs. (Raven Press, 1185 Ave. of the Americas, New York, NY 10036) 1985- Volume(issue)/page/year: 4,209,1986 ** REPRODUCTIVE DATA ** TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SEX/DURATION : female 6-15 day(s) after conception TOXIC EFFECTS : Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants) Reproductive - Effects on Embryo or Fetus - fetal death REFERENCE : TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 78,223,1995 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous 26100 ug/kg SEX/DURATION : female 15-21 day(s) after conception lactating female 22 day(s) post-birth TOXIC EFFECTS : Reproductive - Maternal Effects - parturition Reproductive - Effects on Newborn - viability index (e.g., # alive at day 4 per # born alive) Reproductive - Effects on Newborn - weaning or lactation index (e.g., # alive at weaning per # alive at day 4) REFERENCE : TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 78,223,1995 TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous 26100 ug/kg SEX/DURATION : female 15-21 day(s) after conception lactating female 22 day(s) post-birth TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - musculoskeletal system Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain) REFERENCE : TOLED5 Toxicology Letters. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1977- Volume(issue)/page/year: 78,223,1995 Safety Information HS Code 2918199090 Synthetic Route Methyl (1S,5S,6... 101314-49-2 78919-13-8 Literature: Sodeoka; Ogawa; Kirio; Shibasaki Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 2 p. 309 - 322 Dimethyl (3-met... 70073-58-4 78919-13-8 Literature: Chemical and Pharmaceutical Bulletin, , vol. 39, # 2 p. 309 - 322 methyl 5-((3aS,... 101314-12-9 78919-13-8 Literature: Chemical and Pharmaceutical Bulletin, , vol. 39, # 2 p. 309 - 322 Precursor & DownStream Precursor 3 CAS#:101314-49-2 Methyl (1S,5S,6... CAS#:70073-58-4 Dimethyl (3-met... CAS#:79812-95-6 (3aS,4R,5R,6aR)... DownStream 0
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SupervisionNone. MFN tariff: 6.5%. Ordinary tariff: 30.0%
Transport InfoProduct name: Summary 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives. Supervision conditions:None. VAT: 17.0%. Tax rebate rate:9.0%. MFN tariff: 6.5%. General tariff:30.0%
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