Beclomethasone

CAS

4419-39-0

Catalog Number

ACM4419390

Category

Steroidal Compounds

Molecular Weight

408.92

Molecular Formula

C₂₂H₂₉ClO₅

MSDS COA Spec Sheet

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Specification

Synonyms

Beclomethasone; (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one;

IUPAC Name

(8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

Canonical SMILES

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C

InChI Key

NBMKJKDGKREAPL-DVTGEIKXSA-N

Boiling Point

600.2ºC at 760 mmHg

Melting Point

210ºC

Flash Point

316.8ºC

Density

1.35g/cm³

Appearance

White to off-white crystalline powder

EC Number

224-585-9

Exact Mass

408.17000

What is the molecular formula of beclomethasone?

The molecular formula of beclomethasone is C22H29ClO5.

What is the molecular weight of beclomethasone?

The molecular weight of beclomethasone is 408.9 g/mol.

What are the synonyms for beclomethasone?

The synonyms for beclomethasone include beclometasone, 4419-39-0, Beclometasona, and Beclometasonum.

What is the IUPAC name of beclomethasone?

The IUPAC name of beclomethasone is (8S,9R,10S,11S,13S,14S,16S,17R)-9-chloro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one.

What is the InChI of beclomethasone?

The InChI of beclomethasone is InChI=1S/C22H29ClO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,12,15-17,24,26,28H,4-5,8,10-11H2,1-3H3/t12-,15-,16-,17-,19-,20-,21-,22-/m0/s1.

What is the InChIKey of beclomethasone?

The InChIKey of beclomethasone is NBMKJKDGKREAPL-DVTGEIKXSA-N.

What is the Canonical SMILES of beclomethasone?

The Canonical SMILES of beclomethasone is CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)CO)O)C)O)Cl)C.

What is the CAS number of beclomethasone?

The CAS number of beclomethasone is 4419-39-0.

What is the ChEMBL ID of beclomethasone?

The ChEMBL ID of beclomethasone is CHEMBL1586.

What is the Wikipedia page for beclomethasone?

The Wikipedia page for beclomethasone is "Beclometasone".