Basic information
- CAS
125-03-1- Standard SMILES
CCN(CC)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C.Cl- InChIKey
AKQNAIYKSALPKV-OYHXESGYSA-N- Molecular formula
- C27H42ClNO6
- Average molar mass
- 512.1 g/mol
- Monoisotopic mass
- 511.2700658
Overview
See also: Hydrocortamate (has active moiety).
Names & identifiers
- Preferred name
- Hydrocortamate Hydrochloride
- IUPAC
- [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-(diethylamino)acetate;hydrochloride
- English name
- hydrocortamate hydrochloride
- Molecular formula
- C27H41NO6.ClH
- Molecular weight
- 512.08
Names & synonyms
HYDROCORTAMATE HYDROCHLORIDEMagnacort125-03-1UlcortHydrocortamate HClUNII-9QM8U7R83WHydrocortisone 21-(diethylamino)acetate hydrochlorideEINECS 204-723-4NSC-128849QM8U7R83W17-hydroxycorticosterone 21-(diethylamino)acetate hydrochlorideNSC 12884
Show more names
Nsc12884EthamicortHydrocortamaiAKQNAIYKSALPKV-OYHXESGYSA-NHydrocortisone 21-diethylaminoacetate hydrochloride
11beta,17alpha,21-Trihydroxypregn-4-ene-3,20-dione 21-diethylaminoacetate hydrochlorideCortisol, 21-ester with N,N-diethylglycine, hydrochlorideGlycine, N,N-diethyl-, 21-ester with cortisol, hydrochlorideGlycine, N,N-diethyl-, (11beta)-11,17-dihydroxy-3,20-dioxopregn-4-en-21-yl ester, hydrochlorideCHEBI:50854HYDROCORTAMATE HYDROCHLORIDE (MART.)HYDROCORTAMATE HYDROCHLORIDE [MART.]RefChem:58049
Database identifiers
- CAS
125-03-1
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 880
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- FDA UNII
- 9 QM8U7R83W · 9QM8U7R83W
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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