Deacetyl Vinorelbine

ISO 17034:
Catalog Number : CS-T-51643
CAS Number : 126347-74-8
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Product Information

Product Name : Deacetyl Vinorelbine
Category : Intermediates
Therapeutic : Anti-Cancer / Oncology

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Canonical SMILES : CCC1=CC2CC(C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC
Isomeric SMILES : CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)O)CC)OC)C(=O)OC
InChI : InChI=1S/C43H52N4O7/c1-7-25-18-26-21-42(38(49)53-5,34-28(24-46(22-25)23-26)27-12-9-10-13-31(27)44-34)30-19-29-32(20-33(30)52-4)45(3)36-41(29)15-17-47-16-11-14-40(8-2,35(41)47)37(48)43(36,51)39(50)54-6/h9-14,18-20,26,35-37,44,48,51H,7-8,15-17,21-24H2,1-6H3/t26-,35-,36+,37+,40+,41?,42-,43-/m0/s1
InchIKey : OBAOAFYUDIHEFP-ZTQPSMRSSA-N
IUPAC Name : methyl (9R,10S,11R,12R,19R)-12-ethyl-4-[(12S,14R)-16-ethyl-12-methoxycarbonyl-1,10-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8,15-pentaen-12-yl]-10,11-dihydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Exact Mass : 736.38360001