反应SMILES:O=C(OCc1ccccc1)N1CCC23CCCCC2C1Cc1ccc(O)cc13
HCID22070211

N-Benzyloxycarbonyl N-Desmethyl Dextrorphan

benzyl 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxylate

C24H27NO3377.5 g/molCAS 159723-96-3

IDENTITY

结构与身份

标准SMILES
O=C(OCc1ccccc1)N1CCC23CCCCC2C1Cc1ccc(O)cc13
InChIKey
GPYJBNLHEROROX-UHFFFAOYSA-N
分子式
C24H27NO3
平均分子量
377.5 g/mol
单同位素质量
377.19909372

COMPUTED

结构计算性质

已同步
XLogP
4.5
极性表面积
49.8 Ų
氢键供体
1
氢键受体
3
可旋转键
3
重原子
28
形式电荷
0
复杂度
574

ALIASES

名称与别名

共 8 条
N-Benzyloxycarbonyl N-Desmethyl Dextrorphan159723-96-3benzyl 4-hydroxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-17-carboxylateMorphinan-17-carboxylic acid, 3-hydroxy-, phenylmethyl ester, (9alpha,13alpha,14alpha)-SCHEMBL13383309DTXSID50622276AKOS030255595Benzyl 3-hydroxymorphinan-17-carboxylate

REACTIONS

参与反应

4
HRID126529

Training data from https://doi.org/10.1039/C8SC04228D (2/10)

作为反应物
HRID 126529 方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

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HRID815566

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 815566 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID824525

Test data from https://doi.org/10.1039/C8SC04228D

作为反应物
HRID 824525 方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

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HRID1223978

Training data from https://doi.org/10.1039/C8SC04228D (5/10)

作为反应物
HRID 1223978 方程式

Training data from https://doi.org/10.1039/C8SC04228D (5/10) · 10.1039/C8SC04228D

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