Basic information
- CAS
51372-28-2- Standard SMILES
CCC[C@H]1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1- InChIKey
VOVIALXJUBGFJZ-AMTWPJRWSA-N- Molecular formula
- C25H34O6
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.2355388
Names & identifiers
- Preferred name
- (22S)-Budesonide
- IUPAC
- (1S,2S,4R,6S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
- English name
- (S)-16alpha,17-(butylidenedioxy)-11beta,21-dihydroxypregna-1,4-diene-3,20-dione
- Molecular formula
- C25H34O6
- Molecular weight
- 430.53
Names & synonyms
(22S)-BUDESONIDE51372-28-2Budesonide (11beta,16alpha(S))168L5HT37PDTXSID20860628RefChem:1049738DTXCID201511438257-160-1Budesonide-22S(1S,2S,4R,6S,8S,9S,11S,12S,13R)-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-oneBudesonide MMXBudesonide Impurity 29
Show more names
S-22BudesonideBudenoside Impurity 3Budesonide (22S)-IsomerBudesonide USP Impurity C(S)(22S)-Budesonide (85:15 = S:R)Budesonide Impurity 25 ((22S)-Budesonide)(S)-16α,17-(butylidenedioxy)-11β,21-dihydroxypregna-1,4-diene-3,20-dione16α,17-[(S)-Butylidenebisoxy]-11β,21-dihydroxypregna-1,4-diene-3,20-dione
(6aR,6bS,7S,8aS,8bS,10S,11aR,12aS,12bS)-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-10-propyl-6a,6b,7,8,8a,8b,11a,12,12a,12b-decahydro-1H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4(2H)-oneUNII-168L5HT37P(11beta,16alpha)-16,17-[(1S)-Butylidenebis(oxy)]-11,21-dihydroxypregna-1,4-diene-3,20-dione; Budesonide Epimer A (USP)EINECS 257-160-1BUDESONIDE, (S)-SCHEMBL19635orb3216074VOVIALXJUBGFJZ-AMTWPJRWSA-N
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 862
Physicochemical properties
- Melting point
- 196 · 196-198°C
- Boiling point
- 599.7 · 599.7±50.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Dichloromethane, Methanol (Slightly)
- form
- Solid
- pka
- 12.87 · 12.87±0.10(Predicted)
- color
- White to Off-White
- FDA UNII
- 168 L5HT37P · 168L5HT37P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesBudesonide (B689490) epimer S. Budesonide 22R epimer is more active than 22S epimer.
Suppliers26 total
南京望知星医药科技有限公司18569809817 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
深圳菲斯生物科技有限公司0755-83725350 13380397412 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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