CAS No. 59787-61-0

Cyclosporin C Pricing >

 

Product Information

Chemical Formula: C62H111N11O13
Molecular Weight:1218.61
Synonyms:Thr2-Cyclosporine; 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]; (3R,4R)-3-Hydroxy-N-Methyl-5-[(E)-1-Propenyl]-Cyclo(L-Leu-L-Thr-Sar-N-Methyl-L-Leu-L-Val-N-Methyl-L-Leu-L-Ala-D-Ala-N-Methyl-L-Leu-N-Methyl-L-Leu-N-Methyl-L-Val-); Wf-3484; 7-L-Threoninecyclosporin A; Cyclosporine Impurity-C; 7-L-Threoninecyclosporin A, Wf 3484
MDL No.:MFCD06410945
EINECS / EC No.:N/A
Pubchem CID:5287817
IUPAC Name:(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
Standard InchI: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+/t39-,40+,41-,42-,43+,44+,45+,46+,48+,49+,50+,51+,52-/m1/s1
InchI Key:JTOKYIBTLUQVQV-QRVTZXGZSA-N
SMILES:CC=CCC(C)C(C1C(=O)NC(C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C)C(C)O)O
Appearance:white solid
Melting Point:N/A
Boiling Point:1316 °C at 760 mmHg
Density (Theoretical):1.033 g/cm3
Solubility:DMSO: ?10mg/mL
Refractive Index:1.472

Safety Information

Signal Word: Danger
Hazard Statements:H302-H350-H361
Precautionary Statements:P201-P281-P308+P313
Flash Point:749.661 °C
Transportation Information:UN 2811 6.1/ PG III
GHS Pictograms:Exclamation Mark - GHS07 Health Hazard - GHS08