Betamethasone Valerate

CAS Number: 2152-44-5

Molecular Formula: C27H37FO6

Drug Class: CorticosteroidTherapeutic: anti-inflammatory agent

Synonyms

Hormezon
entanoate
Bectmiran
Betnevate
Celestone

View all

Betamethasone Valerate Specifications

CAS Number

2152-44-5

Molecular Formula

C27H37FO6

Molecular Weight

476.577

IUPAC Name

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

Canonical SMILES

CCCCC(=O)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)C(=O)CO

InChI Key

SNHRLVCMMWUAJD-SUYDQAKGSA-N

InChI

1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1

PubChem CID

16533

MDL Number

MFCD00867446

HSN No

2932999099

CAS Number

2152-44-5

Molecular Formula

C27H37FO6

Molecular Weight

476.577

IUPAC Name

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

Canonical SMILES

CCCCC(=O)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)C(=O)CO

InChI Key

SNHRLVCMMWUAJD-SUYDQAKGSA-N

InChI

PubChem CID

16533

MDL Number

MFCD00867446

HSN No

2932999099

Molecular Weight

476.577

PSA

100.900

LogP

3.63680

Density

1.24g/cm3

Boiling Point

598.9ºC @ 760 mmHg

Melting Point

183-184ºC

Flash Point

316ºC

Refractive Index

1.56

GHS Hazard Statements

H330 (35.6%): Fatal if inhaled H360 (45.9%): May damage fertility or the unborn child H360D (12.3%): May damage the unborn child H372 (53.4%): Causes damage to organs through prolonged or repeated exposure H373 (44.5%): May causes damage to organs through prolonged or repeated exposure H410 (35.6%): 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

RIDADR

UN 2811 6.1/PG 3

Safety Statements

S22-S24/25

Risk Statements

R48