Basic information
- CAS
10215-74-4- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)COC(=O)CCC(=O)O- InChIKey
CYWICJWKZPXJSA-PQWRYPMOSA-N- Molecular formula
- C25H34O6
- Average molar mass
- 430.5 g/mol
- Monoisotopic mass
- 430.2355388
Overview
11-deoxycorticosterone-21-hemisuccinate is a dicarboxylic acid monoester that is the 21-(hydrogen succinate) derivative of 11-deoxycorticosterone. It is a hemisuccinate, a dicarboxylic acid monoester, a 20-oxo steroid, a steroid ester and a 3-oxo-Delta(4) steroid. It is functionally related to a succinic acid and an 11-deoxycorticosterone.
Names & identifiers
- Preferred name
- 21-Hydroxypregn-4-ene-3,20-dione 21-(hydrogen succinate)
- IUPAC
- 4-[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acid
- English name
- 21-Hydroxyprogesterone 21-hemisuccinate
- Molecular formula
- C25H34O6
- Molecular weight
- 430.53
Names & synonyms
10215-74-421-Hydroxypregn-4-ene-3,20-dione 21-(hydrogen succinate)21-Hydroxyprogesterone 21-hemisuccinate11-deoxycorticosterone-21-hemisuccinatedeoxycorticosterone-21-hemisuccinateDesoxycortone hemisuccinateWPW224ZX4P11-Deoxycorticosterone hydrogen succinate4-[2-[(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethoxy]-4-oxobutanoic acidP4-21-HS21-(3-Carboxy-1-oxopropoxy)pregn-4-ene-3,20-dione4-[(3,20-dioxopregn-4-en-21-yl)oxy]-4-oxobutanoic acid
Show more names
DOC HEMISUCCINATEDOC HEMISUCCINATE BSADOC HEMISUCCINATE:BSACORTEXONE HEMISUCCINATECORTEXONE 21-HEMISUCCINATECORTEXONE HEMISUCCINATE:BSAdesoxycortone 21-hemisuccinateDESOXYCORTICOSTERONE HEMISUCCINATEDESOXYCORTICOSTERONE 21-HEMISUCCINATE
4-(progesteron-21-yloxy)-4-oxobutanoic acid21-hydroxyprogesterone 21-(hydrogen succinate)succinic acid mono-(3,20-dioxo-pregn-4-en-21-yl ester)Deoxycorticosterone 21-hemisuccinateEINECS 233-528-7UNII-WPW224ZX4PSCHEMBL2783113CHEBI:62112
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 828
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- FDA UNII
- 224 ZX4P · WPW224ZX4P
- WGK Germany
- 3 · 3
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
- wgk
- 3
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Additional notes
DefinitionChEBI: A dicarboxylic acid monoester that is the 21-(hydrogen succinate) derivative of 11-deoxycorticosterone.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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