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69552-46-1

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Basic Information
CAS No.: 69552-46-1
Name: CARBACYCLIN
Article Data: 22
Molecular Structure:
Molecular Structure of 69552-46-1 (CARBACYCLIN)
Formula: C21H34O4
Molecular Weight: 350.499
Synonyms: Pentanoicacid, 5-[hexahydro-5-hydroxy-4-(3-hydroxy-1-octenyl)-2(1H)-pentalenylidene]-,[3aS-[2E,3aa,4a(1E,3R*),5b,6aa]]-;(+)-Carbacyclin;(5E)-6a-Carbaprostaglandin I2;5(E)-Carbacyclin;Carba-PGI2;Carbacyclin;Carbaprostacyclin;Carboprostacyclin;
EINECS: 636-209-4
Density: 1.177 g/cm3
Melting Point: 65-67℃
Boiling Point: 514.8 °C at 760 mmHg
Flash Point: 279.2 °C
Hazard Symbols: HarmfulXn
Risk Codes: 20/21/22
Safety: 22-36
PSA: 77.76000
LogP: 4.07210
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    69552-46-1

    CARBACYCLIN

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    factory?direct?saleAppearance:White powder Storage:Sealed and preserved Package:200/Kilograms Application:healing drugs Transportation:By sea Port:Shanghai/tianjin

    Zhejiang Jiuzhou Chemical Co.,Ltd is a market-oriented and innovation-driven biopharmaceutical company. The company is focusing on the R&D, manufacturing and sales of pharmaceutica

  •  ZHEJIANG JIUZHOU CHEM CO.,LTD

    China (Mainland)  |  Contact Details

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Specification

This chemical is called Pentanoic acid, 5-[(3aS,4R,5R,6aS)-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octenyl]-2(1H)-pentalenylidene]-,(5E)-, and it's also named as Carboprostacyclin. With the molecular formula of C21H34O4,  its classification codes are Hematologic Agents; Platelet Aggregation Inhibitors. The CAS registry number of this chemical is 69552-46-1. Additionally, this chemical should be sealed in the cool and dry place, away from oxides.

Other characteristics of the Pentanoic acid, 5-[(3aS,4R,5R,6aS)-hexahydro-5-hydroxy-4-[(1E,3S)-3-hydroxy-1-octenyl]-2(1H)-pentalenylidene]-,(5E)- can be summarised as followings: (1)ACD/LogP: 3.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.84; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 54.63; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 359.63; (8)ACD/KOC (pH 7.4): 5.75; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 44.76 Å2; (13)Index of Refraction: 1.61; (14)Molar Refractivity: 103.28 cm3; (15)Molar Volume: 297.5 cm3; (16)Polarizability: 40.94×10-24cm3; (17)Surface Tension: 60.4 dyne/cm; (18)Density: 1.177 g/cm3; (19)Flash Point: 279.2 °C; (20)Enthalpy of Vaporization: 90.53 kJ/mol; (21)Boiling Point: 514.8 °C at 760 mmHg; (22)Vapour Pressure: 9.46E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(O)CCC/C=C1/C[C@@H]2[C@@H](/C=C/[C@@H](O)CCCCC)[C@H](O)C[C@@H]2C1
2.InChI: InChI=1/C21H34O4/c1-2-3-4-8-17(22)10-11-18-19-13-15(7-5-6-9-21(24)25)12-16(19)14-20(18)23/h7,10-11,16-20,22-23H,2-6,8-9,12-14H2,1H3,(H,24,25)/b11-10+,15-7+/t16-,17-,18+,19-,20+/m0/s1
3.InChIKey: XZFRIPGNUQRGPI-WBQKLGIQBY