18-Methoxycoronaridine

Synopsis, Chemistry

DEVELOPMENTS

1 Drug(s) in Development

1 Drug(s) in Development

API SUPPLIERS

API Suppliers

US DMFs Filed

CEP/COS Certifications

JDMFs Filed

Other Certificates

Other Suppliers

API REF. PRICE (USD / KG)

API Market Place

INTERMEDIATES

DOSSIERS // FDF

USA (Orange Book)

Europe

Canada

Australia

South Africa

Uploaded Dossiers

GLOBAL SALES (USD Million)

U.S. Medicaid

Annual Reports

FDF Market Place

EXCIPIENTS

PATENTS & EXCLUSIVITIES

USFDA Orange Book Patents

USFDA Exclusivities

DIGITAL CONTENT

Blog #PharmaFlow

News

REF STANDARD

EDQM

USP

Other Listed Suppliers

SERVICES

Also known as: 18-methoxycoronaridine, 308123-60-6, Methyl (1s,17r)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate, Schembl21359469, Dtxsid40437331, Bdbm50129749

Molecular Formula

C₂₂H₂₈N₂O₃

Molecular Weight

368.5 g/mol

InChI Key

DTJQBBHYRQYDEG-YHIIEBRDSA-N

1 2D Structure

18-Methoxycoronaridine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (1S,17R)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

2.1.2 InChI

InChI=1S/C22H28N2O3/c1-26-10-8-15-11-14-12-22(21(25)27-2)19-17(7-9-24(13-14)20(15)22)16-5-3-4-6-18(16)23-19/h3-6,14-15,20,23H,7-13H2,1-2H3/t14?,15-,20?,22+/m0/s1

2.1.3 InChI Key

DTJQBBHYRQYDEG-YHIIEBRDSA-N

2.1.4 Canonical SMILES

COCCC1CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC

2.1.5 Isomeric SMILES

COCC[C@H]1CC2C[C@@]3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC

2.2 Synonyms

2.2.1 MeSH Synonyms

1. 18-mc Compound

2. 18-methoxycoronaridine

2.2.2 Depositor-Supplied Synonyms

1. 18-methoxycoronaridine

2. 308123-60-6

3. Methyl (1s,17r)-17-(2-methoxyethyl)-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate

4. Schembl21359469

5. Dtxsid40437331

6. Bdbm50129749

7. Q200107

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₈N₂O₃
Molecular Weight	368.5 g/mol
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	368.20999276 g/mol
Monoisotopic Mass	368.20999276 g/mol
Topological Polar Surface Area	54.6 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	584
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1