Product Information
Chemical Formula: | C62H111N11O13 |
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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 |
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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: |