CAS No. 83602-39-5

 

Product Information

Chemical Formula: C62H111N11O12
Molecular Weight:1202.61
Synonyms:Cyclosporin H; Cyclo[L-Alanyl-D-Alanyl-N-Methyl-L-Leucyl-N-Methyl-L-Leucyl-N-Methyl-D-Valyl-3-Hydroxy-N,4-Dimethyl-L-2-Amino-6-Octenoyl-L-2-Aminobutanoyl-N-Methylglycyl-N-Methyl-L-Leucyl-L-Valyl-N-Methyl-L-Leucyl]; 5-(N-Methyl-D-Valine)Cyclosporin A; Cyclo[L-Alanyl-D-Alanyl-N-Methyl-L- Leucyl-N-Methyl-L-Leucyl-N-Methyl-D-Valyl-(3R,4R,6E)-6,7-Didehydro-3-Hydroxy-N,4-Dimethyl-L-2-Aminooctanoyl-L-2-Aminobutanoyl-N-Methylglycyl-N-Methyl-L-Leucyl-L-Valyl-N-Methyl-L-Leucyl]; Sandoz 37-839; Cyclosporine Impurity-H; 5-(N-Methyl-D-Valine)Cyclosporine A; Cyclosporin H, From Micromonospora
MDL No.:MFCD04039488
EINECS / EC No.:N/A
Pubchem CID:6476564
IUPAC Name:(3R,6S,9S,12R,15S,18S,21S,24S,30S,33S)-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
Standard InchI: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-JLPRAAIDSA-N
SMILES:CCC1C(=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)N(C(C(=O)N1)C(C(C)CC=CC)O)C)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
Appearance:white powder
Melting Point:N/A
Boiling Point:1293.8 °C at 760 mmHg
Density (Theoretical):1.016 g/cm3
Refractive Index:1.468

Safety Information

Signal Word: Danger
Hazard Statements:H302-H350-H360
Precautionary Statements:P201-P202-P264-P270-P280-P301+P312+P330-P308+P313-P405-P501
Flash Point:736.3 °C
Transportation Information:UN 2811 6.1/ PG III
GHS Pictograms:Exclamation Mark - GHS07 Health Hazard - GHS08