Betamethasone

CAS Number: 378-44-9

Molecular Formula: C22H29FO5

Drug Class: CorticosteroidTherapeutic category: anti-inflammatory agent

Betamethasone Specifications

CAS Number

378-44-9

Molecular Formula

C22H29FO5

Molecular Weight

392.461

IUPAC Name

(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-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

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C

InChI Key

UREBDLICKHMUKA-DVTGEIKXSA-N

PubChem CID

9782

EINECS Number

206-825-4

HSN No

29372290

CAS Number

378-44-9

Molecular Formula

C22H29FO5

Molecular Weight

392.461

IUPAC Name

(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-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

C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C

InChI Key

UREBDLICKHMUKA-DVTGEIKXSA-N

PubChem CID

9782

EINECS Number

206-825-4

HSN No

29372290

Molecular Weight

392.461

PSA

94.830

LogP

1.89570

Density

1.32g/cm3

Boiling Point

568.2ºC @ 760mmHg

Melting Point

235-237ºC

Flash Point

297.5ºC

Refractive Index

118 ° (C=1, Dioxane)

GHS Hazard Statements

H330 (51%): Fatal if inhaled H360 (97.1%): May damage fertility or the unborn child H372 (51%): Causes damage to organs through prolonged or repeated exposure H373 (47.1%): May causes damage to organs through prolonged or repeated exposure H410 (51%): Very toxic to aquatic life with long lasting effects

Precautionary Statement Codes

P203, P260, P264, P270, P271, P273, P280, P284, P304+P340, P316, P318, P319, P320, P391, P403+P233, P405, and P501

Safety Statements

S22; S36

Risk Statements

R40