Name: Hydroxyethylvindesine
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212716389
Cas No:55324-79-3
常用名:Hydroxyethylvindesine
别名:Deacetylvinblastine hydroxyethylamide
IUPAC:methyl 17-ethyl-13-{12-ethyl-10,11-dihydroxy-10-[(2-hydroxyethyl)carbamoyl]-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl}-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
IUPAC:methyl 17-ethyl-13-{12-ethyl-10,11-dihydroxy-10-[(2-hydroxyethyl)carbamoyl]-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.0^{1,9}.0^{2,7}.0^{16,19}]nonadeca-2(7),3,5,13-tetraen-4-yl}-17-hydroxy-1,11-diazatetracyclo[13.3.1.0^{4,12}.0^{5,10}]nonadeca-4(12),5,7,9-tetraene-13-carboxylate
InChI key:AJUBQFITBGMEDN-UHFFFAOYSA-N

分子式:C45H59N5O8
分子量:797.994
氢键供体数 (HBD):6
氢键受体数 (HBA):10
LogP:2.3227572
SMILES:CCC1(O)CC2CN(C1)CCc1c([nH]c3ccccc13)C(C2)(C(=O)OC)c1cc2c(cc1OC)N(C)C1C22CCN3CC=CC(CC)(C23)C(O)C1(O)C(=O)NCCO |c:48|
SMILES:CCC1(O)CC2CN(C1)CCc1c([nH]c3ccccc13)C(C2)(C(=O)OC)c1cc2c(cc1OC)N(C)C1C22CCN3CC=CC(CC)(C23)C(O)C1(O)C(=O)NCCO |c:48|

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