HIT218661382 - (1S,5R,13R,14R,17S)-14-[bis(2-chloroethyl)amino]-4-(cyclopropylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol dihydrochloride, β-Chlornaltrexamine dihydrochloride

sdf文件结构编辑类似物检索

HIT ID: HIT218661382

Cas No: 67025-98-3

分子式: C24H34Cl4N2O3

分子量: 540.35

常用名: (1S,5R,13R,14R,17S)-14-[bis(2-chloroethyl)amino]-4-(cyclopropylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol dihydrochloride, β-Chlornaltrexamine dihydrochloride

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (1S,5R,13R,14R,17S)-14-[bis(2-chloroethyl)amino]-4-(cyclopropylmethyl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-triene-10,17-diol dihydrochloride

SMILES: Cl.Cl.Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)[C@@H](CC[C@@]35O)N(CCCl)CCCl

InChI key: JJZDLJGFHABVOM-QNWHWJQFSA-N