Basic information
- CAS
4968-09-6- Standard SMILES
CC(=O)C12OC(C)(C)OC1CC1C3CCC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
LSWBQIAZNGURQV-UHFFFAOYSA-N- Molecular formula
- C24H34O4
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.24570956
Names & identifiers
- Preferred name
- Progesterone,17-(isopropylidenedioxy)-
- IUPAC
- 8-acetyl-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
- English name
- Alphasone acetonide
- Molecular formula
- C24H34O4
- Molecular weight
- 386.52
Names & synonyms
CHEMBL4758866NSC26104Progesterone,17-(isopropylidenedioxy)-16.alpha.,17-(Isopropylidenedioxy)progesterone16.alpha.,20-dione cyclic acetal with acetone16.alpha.,17.alpha.-IsopropylidenedioxyprogesteronePregn-4-ene-3, 16.alpha.,17-(isopropylidenedioxy)-Pregn-4-ene-3, 16,17-[(1-methylethylidene)bis(oxy)], (16.alpha.)-Pregn-4-ene-3, 16,17-[(1-methylethylidene)bis(oxy)]-, (16.alpha.)-Pregn-4-ene-3, 16.alpha.,17-dihydroxy-, cyclic acetal with acetoneW3395W 3395
Show more names
W-3395alphasone acetonideALGESTONE ACETONIDECyclic acetal with acetonealgestone 16α,17α-acetonideprogesterone 16,17-acetonideAlphasone acetonide USP/EP/BP
Database identifiers
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 781
Physicochemical properties
- Melting point
- 210 ° · 210°
- alpha
- 20 · D20 +137° (c = 0.7 in CHCl3)
- Boiling point
- 501.5 · 501.5±50.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White
- InChIKey
- LSWBQIAZNGURQV-FTGOBJLXNA-N
- SMILES
- [C@@]12(C(=O)C)OC(C)(C)O[C@]1([H])C[C@@]1([H])[C@]3([H])CCC4=CC(=O)CC[C@]4(C)[C@@]3([H])CC[C@]21C |&1:0,9,12,14,24,26,30,r|
- FDA UNII
- 8 I4Y1IH · WXD8I4Y1IH
Chemistry & industry
Applications
UsesAnti-inflammatory.
Suppliers19 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
佛山宝诺生物科技有限公司0757-85921206 18520245316 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
合肥孚亚生物技术有限公司18096409024 · [email protected]
上海孚一生物科技有限公司18096642264 18096642264 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
陕西缔都医药化工有限公司029-81154043 17391733319 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
南京克罗托鲁宁医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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