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| CAS No.: | 179463-17-3 |
|---|---|
| Name: | Cancidas |
| Article Data: | 8 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C52H88N10O15.2(C2H4O2) |
| Molecular Weight: | 1213.43 |
| Synonyms: | MK 0991;Pneumocandin B0,1-[(4R,5S)-5-[(2- aminoethyl)amino]-N2-(10,12-dimethyl-1- oxotetradecyl)-4-hydroxy-L-ornithine]-5- [(3R)-3-hydroxy-L-ornithine]-,diacetate (salt);Caspofungin Acetate [USAN];Caspofungin acetate;L 743872;Pneumocandin B0, 1-((4R,5S)-5-((2-aminoethyl)amino)-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine)-5-((3R)-3-hydroxy-L-ornithine)-, diacetate (salt);L 743873;MK0991; |
| EINECS: | 605-859-0 |
| Density: | N/A |
| Melting Point: | N/A |
| Boiling Point: | 1501.4 °C at 760 mmHg |
| Flash Point: | 861.8 °C |
| Solubility: | N/A |
| Appearance: | white powder |
| Hazard Symbols: | N/A |
| Risk Codes: | N/A |
| Safety: | |
| Transport Information: | N/A |
| PSA: | 412.03000 |
| LogP: | 0.06150 |
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This chemical is called Cancidas, and its systematic name is Pneumocandin B0, 1-((4R,5S)-5-((2-aminoethyl)amino)-N2-(10,12-dimethyl-1-oxotetradecyl)-4-hydroxy-L-ornithine)-5-((3R)-3-hydroxy-L-ornithine)-, diacetate (salt). With the molecular formula of C52H88N10O15.2(C2H4O2), its molecular weight is 1213.42. The CAS registry number of this chemical is 179463-17-3. In addition, the Caspofungin is an antifungal drug.
Other characteristics of the Cancidas can be summarised as followings: (1)H-Bond Donor: 18; (2)H-Bond Acceptor: 22; (3)Rotatable Bond Count: 23; (4)Tautomer Count: 1001; (5)Exact Mass: 1212.685321; (6)MonoIsotopic Mass: 1212.685321; (7)Topological Polar Surface Area: 487; (8)Heavy Atom Count: 85; (9)Formal Charge: 0; (10)Complexity: 1930; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 13; (13)Undefined Atom StereoCenter Count: 3; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 3.
This chemical may cause the side-effects as followings: (1)Gastrointestinal system: nausea, vomiting, abdominal pain, and diarrhea; (2)Central nervous system: headache; (3)Whole body: fever, phlebitis or thrombophlebitis, complications at intravenous cannulation site (e.g. induration), unspecified pain, flu-like syndrome, myalgia, chills, and paresthesia; (4)Respiratory: dyspnea; (5)Renal: increased plasma creatinine; (6)Hematological: anemia; (7)Electrolytes: hypokalemia; (8)Liver: increased liver enzymes (asymptomatic); (9)Hypersensitivity: rash, facial edema, pruritus; (10)Others: tachycardia.
You can still convert the following datas into molecular structure:
1.InChI: InChI=1S/C52H88N10O15.2C2H4O2/c1-5-28(2)24-29(3)12-10-8-6-7-9-11-13-39(69)56-34-26-38(68)46(55-22-21-54)60-50(75)43-37(67)19-23-61(43)52(77)41(36(66)18-20-53)58-49(74)42(45(71)44(70)31-14-16-32(64)17-15-31)59-48(73)35-25-33(65)27-62(35)51(76)40(30(4)63)57-47(34)72;2*1-2(3)4/h14-17,28-30,33-38,40-46,55,63-68,70-71H,5-13,18-27,53-54H2,1-4H3,(H,56,69)(H,57,72)(H,58,74)(H,59,73)(H,60,75);2*1H3,(H,3,4)/t28?,29?,30-,33-,34+,35+,36-,37+,38+,40+,41+,42+,43?,44+,45+,46+;;/m1../s1
2.InChIKey: OGUJBRYAAJYXQP-CPYUAZPCSA-N
