Gangwal Healthcare is powered by innovation, driving health, wellness & healing.

Contact Supplier

SPI Pharma has been solving formulation challenges using superior functional materials.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Neuro_000136, Chembl152470, Schembl7635796, Dtxsid60868022, Nsc293863, Nsc-293863

Molecular Formula

C₂₈H₃₁NO₁₀

Molecular Weight

541.5 g/mol

InChI Key

LWYJUZBXGAFFLP-UHFFFAOYSA-N

1 2D Structure

Menogarol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione

2.1.2 InChI

InChI=1S/C28H31NO10/c1-27(36)8-10-6-11-16(21(32)15(10)14(9-27)37-5)22(33)17-13(30)7-12-24(18(17)20(11)31)38-26-23(34)19(29(3)4)25(35)28(12,2)39-26/h6-7,14,19,23,25-26,30,32,34-36H,8-9H2,1-5H3

2.1.3 InChI Key

LWYJUZBXGAFFLP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1(CC(C2=C(C3=C(C=C2C1)C(=O)C4=C5C(=CC(=C4C3=O)O)C6(C(C(C(C(O5)O6)O)N(C)C)O)C)O)OC)O

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Neuro_000136

2. Chembl152470

3. Schembl7635796

4. Dtxsid60868022

5. Nsc293863

6. Nsc-293863

7. (1r,10r,12s,21r,22s,23r,24r)-23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione

8. 23-(dimethylamino)-4,8,12,22,24-pentahydroxy-10-methoxy-1,12-dimethyl-20,25-dioxahexacyclo[19.3.1.02,19.05,18.07,16.09,14]pentacosa-2,4,7(16),8,14,18-hexaene-6,17-dione

9. 4-(dimethylamino)-3,5,8,10,13-pentahydroxy-11-methoxy-6,13-dimethyl-3,4,5,6,11,12,13,14-octahydro-2h-2,6-epoxytetraceno[1,2-b]oxocine-9,16-dione

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₃₁NO₁₀
Molecular Weight	541.5 g/mol
XLogP3	0.8
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	2
Exact Mass	541.19479619 g/mol
Monoisotopic Mass	541.19479619 g/mol
Topological Polar Surface Area	166 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	1020
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1