Cas no 59787-61-0 (Cyclosporin C (>80%))

Cyclosporin C (>80%) structure
Cyclosporin C (>80%) structure
Product Name:Cyclosporin C (>80%)
CAS No:59787-61-0
MF:C62H111N11O13
MW:1218.6107
MDL:MFCD06410945
CID:57481
PubChem ID:5287817
Update Time:2024-11-03

Cyclosporin C (>80%) Chemical and Physical Properties

Names and Identifiers

    • Cyclosporin C
    • Cyclo[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-3-hydroxy-N,4-dimethyl-L-2-amino-6-octenoyl-L-threonyl-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl]
    • 7-L-Threoninecyclosporin A
    • Thr2-cyclosporine
    • WF-3484
    • (3R,6S,9S,12R,15R,18S,21R,24S,30R,33S)-30-(1-Hydroxyethyl)-33-(1-hydroxy-2-methylhex-4-enyl)-1,4,7,1
    • C62H111N11O13
    • STL565832
    • Triacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • Cyclosporin C, Antibiotic for Culture Media Use Only
    • 59787-61-0
    • BS-17695
    • CHEBI:218755
    • Q27265421
    • HB3859
    • 6S744L5508
    • CYCLO(L-ALANYL-D-ALANYL-N-METHYL-L-LEUCYL-N-METHYL-L-LEUCYL-N-METHYL-L-VALYL-(3R,4R,6E)-6,7-DIDEHYDRO-3-HYDROXY-N,4-DIMETHYL-L-2-AMINOOCTANOYL-L-THREONYL-N-METHYLGLYCYL-N-METHYL-L-LEUCYL-L-VALYL-N-METHYL-L-LEUCYL)
    • CYCLOSPORIN A, 7-L-THREONINE-
    • EX-A2529
    • SR-01000872584
    • D83121
    • Cyclosporin C (>80%)
    • HY-N6027
    • JTOKYIBTLUQVQV-QRVTZXGZSA-N
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-((1R,2R,E)-1-Hydroxy-2-methylhex-4-en-1-yl)-30-((R)-1-hydroxyethyl)-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecaazacyclotritriacontan-2,5,8,11,14,17,20,23,26,29,32-undecaone
    • UNII-6S744L5508
    • Q-100690
    • SCHEMBL22032784
    • CHEMBL2370014
    • SR-01000872584-1
    • Cyclo[[(E)-(2S,3R,4R)-3-hydroxy-4-methyl-2-(methylamino)-6-octenoyl]-L-threonine-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucyl-L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl]
    • DTXSID501017530
    • AKOS037748855
    • CYCLOSPORIN C [MI]
    • [Thr2]CsA
    • 7-Threonine-cyclosporin A
    • CS-0032194
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-[(1R)-1-Hydroxyethyl]-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotri-triacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • DTXCID401475719
    • (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-30-((1R)-1-hydroxyethyl)-33-((E,1R,2R)-1-hydroxy-2-methylhex-4-enyl)-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
    • MDL: MFCD06410945
    • Inchi: 1S/C62H111N11O13/c1-25-26-27-39(14)52(76)51-56(80)66-49(42(17)74)60(84)67(18)32-47(75)68(19)43(28-33(2)3)55(79)65-48(37(10)11)61(85)69(20)44(29-34(4)5)54(78)63-40(15)53(77)64-41(16)57(81)70(21)45(30-35(6)7)58(82)71(22)46(31-36(8)9)59(83)72(23)50(38(12)13)62(86)73(51)24/h25-26,33-46,48-52,74,76H,27-32H2,1-24H3,(H,63,78)(H,64,77)(H,65,79)(H,66,80)/b26-25+
    • InChI Key: JTOKYIBTLUQVQV-OCEACIFDSA-N
    • SMILES: O([H])C([H])(C([H])(C([H])([H])[H])C([H])([H])/C(/[H])=C(\[H])/C([H])([H])[H])C1([H])C(N([H])C([H])(C(N(C([H])([H])[H])C([H])([H])C(N(C([H])([H])[H])C([H])(C(N([H])C([H])(C(N(C([H])([H])[H])C([H])(C(N([H])C([H])(C([H])([H])[H])C(N([H])C([H])(C([H])([H])[H])C(N(C([H])([H])[H])C([H])(C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(N(C([H])([H])[H])C([H])(C(N(C([H])([H])[H])C([H])(C(N1C([H])([H])[H])=O)C([H])(C([H])([H])[H])C([H])([H])[H])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)=O)=O)=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)C([H])(C([H])([H])[H])C([H])([H])[H])=O)C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])=O)=O)C([H])(C([H])([H])[H])O[H])=O

Computed Properties

  • Exact Mass: 1217.84000
  • Monoisotopic Mass: 1217.83628264 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 13
  • Heavy Atom Count: 86
  • Rotatable Bond Count: 15
  • Complexity: 2360
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 13
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Molecular Weight: 1218.6
  • XLogP3: 6.9
  • Topological Polar Surface Area: 299

Experimental Properties

  • Color/Form: 無色至灰白色結(jié)晶固體
  • Density: 1.033
  • Melting Point: 152-155 oC
  • Boiling Point: 1315.953 ℃ at 760 mmHg
  • Flash Point: 749.7 °C
  • Refractive Index: 1.472
  • Solubility: DMSO: ≥10mg/mL
  • PSA: 299.03000
  • LogP: 3.12030
  • Specific Rotation: D20 -255° (c = 0.5 in chloroform); D20 -182° (c = 0.5 in methanol)

Cyclosporin C (>80%) Security Information

Cyclosporin C (>80%) Pricemore >>

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