Cas no 79217-60-0 (Cyclosporin (9CI, ACI))

Cyclosporin (9CI, ACI) structure
Cyclosporin (9CI, ACI) structure
Product Name:Cyclosporin (9CI, ACI)
CAS No:79217-60-0
MF:C62H111N11O12
MW:1202.61125683784
MDL:MFCD01771104
CID:60063
PubChem ID:6435893
Update Time:2025-04-18

Cyclosporin (9CI, ACI) Chemical and Physical Properties

Names and Identifiers

    • CYCLOSPORINE
    • CYCLOSPORIN
    • Cyclosporins
    • CYCLOSPRINE
    • Cyclosporine (Neoral)
    • 30-ethyl-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-undecazacyclotritriacontan
    • Cyclosporin A
    • CYCLOSPORINE,ENTERPRISE
    • 30-ethyl-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
    • CICLOSPORIN
    • Gengraf
    • Neoral
    • Sandimmune
    • Cyclosporin A / B / C / D / H A 59865-13-3 /
    • CYCLOSPORINE / CICLOSPORIN
    • Cyclosporine (cyclosporin A)
    • 79217-60-0
    • AB01566822_01
    • 59865-13-3; C62H111N11O12
    • SCHEMBL4454089
    • CCG-270653
    • SW219558-1
    • A914278
    • SangCyA
    • AKOS040759018
    • Restasis
    • AS-15704
    • s1514
    • SCHEMBL4331439
    • 32-ethyl-2-[(e,1r,2r)-1-hydroxy-2-methylhex-4-enyl]-3,6,9,12,14,17,21,27,30-nonamethyl-8,11,20,26-tetrakis-(2-methylpropyl)-5,23-di-(propan-2-yl)-3,6,9,12,15,18,21,24,27,30,33-undecaza-cyclotritriacontane-1,4,7,10,13,16,19,22,25,28,31-undecone
    • MeSH ID: D003524
    • PMATZTZNYRCHOR-KMSBSJHKSA-N
    • BRD-A11864475-001-02-5
    • Cyclosporin (9CI, ACI)
    • MDL: MFCD01771104
    • Inchi: 1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+/t40-,41?,42?,43?,44?,45?,46?,47?,49?,50?,51?,52-/m1/s1
    • InChI Key: PMATZTZNYRCHOR-KMSBSJHKSA-N
    • SMILES: O[C@H]([C@H](C)C/C=C/C)C1C(NC(C(N(C)CC(N(C)C(C(NC(C(N(C)C(C(NC(C)C(NC(C)C(N(C)C(CC(C)C)C(N(C)C(C(N(C)C(C(N1C)=O)C(C)C)=O)CC(C)C)=O)=O)=O)=O)CC(C)C)=O)C(C)C)=O)CC(C)C)=O)=O)CC)=O

Computed Properties

  • Exact Mass: 1201.84000
  • Monoisotopic Mass: 1201.841
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 85
  • Rotatable Bond Count: 15
  • Complexity: 2330
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • Topological Polar Surface Area: 279A^2
  • XLogP3: 7.5

Experimental Properties

  • Density: 1.016
  • Melting Point: 148-151 deg C
  • Boiling Point: 1293.8 °C at 760 mmHg
  • Flash Point: 736.3 °C
  • Refractive Index: 1.467
  • PSA: 292.76000
  • LogP: 3.93790

Cyclosporin (9CI, ACI) Security Information

Cyclosporin (9CI, ACI) Pricemore >>

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