 Home > Encyclopedia > methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate structure

CAS No:
76129-67-4
Formula:
C21H26N2O3
Chemical Name:
methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Synonyms:
10-hydroxycoronaridine;10-Hydroxycoronaridine;76129-67-4;Methyl 12-hydroxyibogamine-18-carboxylate;Norvoacangine;SCHEMBL11889227;DTXSID20997483;CHEBI:146256;Ibogamine-18-carboxylic acid, 12-hydroxy-, methyl ester

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Description

10-hydroxycoronaridine is an organic heteropentacyclic compound that is coronaridine in which the hydrogen of the indole moiety that is para- to the indole nitrogen has been replaced by a hydroxy group. It has a role as a plant metabolite and a phytoestrogen. It is an organic heteropentacyclic compound, a monoterpenoid indole alkaloid, a methyl ester, a tertiary amino compound, a secondary amino compound and an alkaloid ester. It derives from a (-)-coronaridine. It is a conjugate base of a 10-hydroxycoronaridine(1+).

methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate Basic Attributes

Molecular Weight：

354.4 g/mol

Exact Mass：

354.19434270 g/mol

Characteristics

PSA：

65.6 Å²

Drug Information

MeSH Entry Terms：

10-hydroxycoronaridine

Computed Properties

Molecular Weight:354.4
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:354.19434270
Monoisotopic Mass:354.19434270
Topological Polar Surface Area:65.6
Heavy Atom Count:26
Complexity:584
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of methyl (1S,15R,17S,18S)-17-ethyl-7-hydroxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate

Description
Basic Attributes
Characteristics
Drug Information
Computed Properties
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