Betamethasone 17-propionate

HCID 93007

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Basic information

CAS: 5534-13-4
Standard SMILES: CCC(=O)O[C@]1(C(=O)CO)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C
InChIKey: ITYMTTQVNYAJAA-XGQKBEPLSA-N
Molecular formula: C25H33FO6
Average molar mass: 448.5 g/mol
Monoisotopic mass: 448.22611693

Names & identifiers

Preferred name: Betamethasone 17-propionate
IUPAC: [(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] propanoate
English name: 9-fluoro-11beta,17,21-trihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate
Molecular formula: C25H33FO6
Molecular weight: 448.53

Names & synonyms

Betamethasone 17-propionate5534-13-4UNII-4Q20XC60T44Q20XC60T4EINECS 226-887-6Betamethasone 17 alpha-monopropionateEC 226-887-6BETAMETHASONE 17.ALPHA.-PROPIONATEBETAMETHASONE DIPROPIONATE IMPURITY BCLOBETASOL PROPIONATE IMPURITY A [EP IMPURITY]9-FLUORO-11.BETA.,21-DIHYDROXY-16.BETA.-METHYL-17-(1-OXOPROPOXY)PREGNA-1,4-DIENE-3,20-DIONEPregna-1,4-diene-3,20-dione, 9-fluoro-11,21-dihydroxy-16-methyl-17-(1-oxopropoxy)-, (11beta,16beta)-

Show more names

BETAMETHASONE PROPIONATEBetamethasone17propionateBETAMETHASONE 17-PROPIOTEβmethasone 17-propionate-d3Clobetasol Propionate EP IMP ABetamethasone D6-17-propionateD5-Betamethasone 17-PropionateClobetasol Propionate EP Impurity AClobetasol Propionate Impurity A(EP)Betamethasone Dipropionate Impurity 2

PREGNA-1,4-DIENE-3,20-DIONE, 9-FLUORO-11.BETA.,17,21-TRIHYDROXY-16.BETA.-METHYL-, 17-PROPIONATECLOBETASOL PROPIONATE IMPURITY A (EP IMPURITY)Betamethasone 17alpha-PropionateRefChem:1195403,20-DIOXO-9-FLUORO-16BETA-METHYLPREGNA-1,4-DIENE-11BETA,17,21-TRIOL 17-PROPIONATE9-FLUORO-11BETA,21-DIHYDROXY-16BETA-METHYL-17-(1-OXOPROPOXY)PREGNA-1,4-DIENE-3,20-DIONE226-887-63,20-DIOXO-9-FLUORO-16.BETA.-METHYLPREGNA-1,4-DIENE-11.BETA.,17,21-TRIOL 17-PROPIONATE

Database identifiers

CAS: 5534-13-4
PubChem CID: 93007
DTXSID: DTXSID501310398
ChEMBL: CHEMBL2115119
UNII: 4Q20XC60T4
EC Number: 226-887-6
Nikkaji: J210.579I

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 101 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 32
Formal charge: 0
Complexity: 925

Physicochemical properties

Melting point: 233 · 233-235°C
Boiling point: 579.5 · 579.5±50.0 °C(Predicted)
Density: 1.28 · 1.28±0.1 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: DMSO (Slightly, Heated), Methanol (Slightly)
form: Solid
pka: 12.89 · 12.89±0.70(Predicted)
color: White to Off-White
FDA UNII: 4 Q20XC60T4 · 4Q20XC60T4
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 412 · H412-H360
Precautionary statements: 273 · P273-P501
HS Code: 2937220000 · 2937220000
REACH Registrations: Active

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Danger

H360 (20.8%): May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P273, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 24 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationREACH registered substance: 9-fluoro-11β,17,21-trihydroxy-16β-methylpregna-1,4-diene-3,20-dione 17-propionate (EC: 226-887-6)

Hazard Classes and CategoriesRepr. 1B (20.8%)

Safety data

hs_code: 2937220000
Signal word: Danger
Symbol(GHS): GHS08
Hazard statements: H412-H360
REACH Registrations: Active
Precautionary statements: P273-P501

Chemistry & industry

Applications

UsesA degradation product of Betamethasone. Glucocorticoid.

Upstream & downstream products

Upstream raw materials

Downstream products

Betamethasone

Suppliers79 total

苏州道澜生物医药科技有限公司15952404857 · [email protected]

上海策嵘生物科技有限公司[email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

上海科骊科生物技术有限公司021-34975789 18721102763 · [email protected]

Related reactions

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Compound notes

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