Betamethasone Dipropionate

CAS Number: 5593-20-4

Molecular Formula: C28H37FO7

Drug Class: CorticosteroidTherapeutic category: anti-inflammatory agent

About Betamethasone Dipropionate

Betamethasone Dipropionate

Betamethasone Dipropionate Specifications

CAS Number

5593-20-4

Molecular Formula

C28H37FO7

Molecular Weight

504.588

IUPAC Name

[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate

Canonical SMILES

CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC

InChI Key

CIWBQSYVNNPZIQ-XYWKZLDCSA-N

InChI

1S/C28H37FO7/c1-6-23(33)35-15-22(32)28(36-24(34)7-2)16(3)12-20-19-9-8-17-13-18(30)10-11-25(17,4)27(19,29)21(31)14-26(20,28)5/h10-11,13,16,19-21,31H,6-9,12,14-15H2,1-5H3/t16-,19-,20-,21-,25-,26-,27-,28-/m0/s1

PubChem CID

21800

EINECS Number

227-005-2

CAS Number

5593-20-4

Molecular Formula

C28H37FO7

Molecular Weight

504.588

IUPAC Name

[2-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-17-propanoyloxy-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] propanoate

Canonical SMILES

CCC(=O)OCC(=O)[C@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)OC(=O)CC

InChI Key

CIWBQSYVNNPZIQ-XYWKZLDCSA-N

InChI

PubChem CID

21800

EINECS Number

227-005-2

Molecular Weight

504.588

PSA

106.970

LogP

3.81750

Density

1.24g/cm3

Boiling Point

603.2ºC at 760mmHg

Melting Point

178ºC

Flash Point

318.6ºC

Refractive Index

69°(C=1, Dioxane)

GHS Hazard Statements

H330 (40.9%): Fatal if inhaled H360 (37.8%): May damage fertility or the unborn child H360D (13.4%): May damage the unborn child H361 (45.7%): Suspected of damaging fertility or the unborn child H372 (50.4%): Causes damage to organs through prolonged or repeated exposure H410 (50.4%): Very toxic to aquatic life with long lasting effects