Name: Naloxonazine dihydrochloride
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214316556
Cas No:880759-65-9
常用名:Naloxonazine dihydrochloride
IUPAC:(1S,5R,13R,17S)-14-{2-[(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-ylidene]hydrazin-1-ylidene}-4-(prop-2-en-1-yl)-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 hydrochloride
IUPAC:(1S,5R,13R,17S)-14-{2-[(1S,5R,13R,17S)-10,17-dihydroxy-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7,9,11(18)-trien-14-ylidene]hydrazin-1-ylidene}-4-(prop-2-en-1-yl)-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 hydrochloride
InChI key:GTXAYBCZOCCFKG-VNMVAXCYSA-N

分子式:C38H43ClN4O6
分子量:687.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=NN=C1CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC=C)c56)ccc3O |w:23.25,21.22,TLB:33:32:27:44.43.42,THB:37:48:27:44.43.42,4:5:17:10.14.15,49:6:17:10.14.15|
SMILES:Cl.[H][C@@]12Oc3c4c(C[C@@]5([H])N(CC=C)CC[C@@]14[C@@]5(O)CCC2=NN=C1CC[C@@]2(O)[C@@]4([H])Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC=C)c56)ccc3O |w:23.25,21.22,TLB:33:32:27:44.43.42,THB:37:48:27:44.43.42,4:5:17:10.14.15,49:6:17:10.14.15|

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