Dexamethasone

CAS Number: 50-02-2

Molecular Formula: C22H29FO5

Drug Class: CorticosteroidTherapeutic: anti-inflammatory agent

Dexamethasone Specifications

CAS Number

50-02-2

Molecular Formula

C22H29FO5

Molecular Weight

392.461

IUPAC Name

(8S,9R,10S,11S,13S,14S,16R,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-CXSFZGCWSA-N

EINECS Number

200-003-9

CAS Number

50-02-2

Molecular Formula

C22H29FO5

Molecular Weight

392.461

IUPAC Name

(8S,9R,10S,11S,13S,14S,16R,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-CXSFZGCWSA-N

EINECS Number

200-003-9

Molecular Weight

392.461

PSA

94.830

LogP

1.89570

Density

1.32 g/cm3

Boiling Point

568.2ºC at 760 mmHg

Melting Point

255-264ºC

Flash Point

297.5ºC

Refractive Index

1.591

GHS Hazard Statements

H315 (24.6%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (26.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (25.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H334 (24.1%): May cause allergy or asthma symptoms or breathing difficulties if inhaled [Danger Sensitization, respiratory] H335 (24.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H360 (51.9%): May damage fertility or the unborn child [Danger Reproductive toxicity] H360D (12.8%): May damage the unborn child [Danger Reproductive toxicity] H373 (35.8%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] H410 (33.2%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]