Basic information
- CAS
7681-14-3- Standard SMILES
CC(C)(C)CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C- InChIKey
HUMXXHTVHHLNRO-KAJVQRHHSA-N- Molecular formula
- C27H38O6
- Average molar mass
- 458.6 g/mol
- Monoisotopic mass
- 458.26683893
Overview
Prednisolone tebutate is a corticosteroid hormone.
Names & identifiers
- Preferred name
- Prednisolone Tebutate
- IUPAC
- [2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 3,3-dimethylbutanoate
- English name
- Prednisolone tebutate
- Molecular formula
- C27H38O6
- Molecular weight
- 458.59
Names & synonyms
prednisolone tebutate7681-14-3Hydeltra-TBAPrednisolone 21-tert-butylacetatePrednisolone ButylacetateAnhydrous prednisolone tebutateDTXSID8023505Prednisolone tertiary butylacetate1V7A1U282KDTXCID303505[2-[(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] 3,3-dimethylbutanoatecodelcortone-TBA
Show more names
PrednisolonetebutateMethylprednisolone Impurity 35Predalone TBACodelcortone TBAPrednisolone TBA21-tert-ButylacetatePrednisolone butyl acetetePrednisolone hexanoate CRS
(2-((8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta(a)phenanthren-17-yl)-2-oxo-ethyl) 3,3-dimethylbutanoateRefChem:55913prednisolone tertiary butyl acetatepregna-1,4-diene-3,20-dione, 21-(3,3-dimethyl-1-oxobutoxy)-11,17-dihydroxy-, (11 beta)-11 beta,17 alpha,21-trihydroxypregna-1,4-diene-3,20-dione 21-tert-butyl acetateHydeltra-T.B.A.EINECS 231-661-5UNII-1V7A1U282K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 925
Experimental & physicochemical properties
Human Drugs
FDA approved drugs -> Active ingredient
FDA approved drugs -> Active ingredient
Physicochemical properties
- Melting point
- 266 · 266-273°
- Boiling point
- 606.7 · 606.7±55.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under inert atmosphere
- solubility
- Dioxane (Slightly, Sonicated), DMSO (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- pka
- 12.32 · 12.32±0.70(Predicted)
- color
- White to Off-White
- FDA UNII
- 1 V7A1U282K · 1V7A1U282K
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 360 D · H360D
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
Danger
H360D (100%): May damage the unborn child [Danger Reproductive toxicity]
P203, P280, P318, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 1B (100%)
Safety data
- wgk
- 3
- hs_code
- 2937290000
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Hazard statements
- H360D
- Precautionary statements
- P201-P202-P280-P308+P313-P405-P501
Chemistry & industry
Applications
UsesGlucocorticoid.
UsesPrednisolone Tebutate is an anaesthetic corticosteroid.
Suppliers30 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
武汉灵灵九生物科技有限公司15623309010 · [email protected]
Aladdin Scientific[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]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
上海喀露蓝科技有限公司18149758185 18149758185 · [email protected]
上海笛柏生物科技有限公司400-008-9730,021-54359730 400-008-9730 · [email protected]
Chongqing jooe co., ltd+86-15223382610 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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