Basic information
- CAS
474-45-3- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
POWBIOMTXFDIOP-SYBPFIFISA-N- Molecular formula
- C21H35NO
- Average molar mass
- 317.5 g/mol
- Monoisotopic mass
- 317.27186474
Overview
Funtumine is a steroid. It derives from a hydride of a pregnane.
Names & identifiers
- Preferred name
- Funtumine
- IUPAC
- 1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
- English name
- FUNTUMINE BASE
- Molecular formula
- C21H35NO
- Molecular weight
- 317.51
Names & synonyms
Funtumine474-45-3EINECS 207-483-93-alpha-Amino-5-alpha-pregnan-20-one3-alpha-Amino-20-oxo-5-alpha-pregnaneUNII-29N9T471HT29N9T471HTFUNTUMIN5-alpha-Pregnan-20-one, 3-alpha-amino-FUNTUMINE [MI]1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneFUNTUMINE, (+)-
Show more names
FUNTUMINE BASE3α-Amino-5α-pregnan-20-onePregnan-20-one, 3-amino-, (3α,5α)-3-alpha-amino-5-alpha-pregnan-20-on1-[(3R,5S,8R,9S,10S,13S,14S,17S)-3-azanyl-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
DTXSID90878598Pregnan-20-one, 3-amino-, (3-alpha,5-alpha)-(3.ALPHA.,5.ALPHA.)-3-AMINOPREGNAN-20-ONEPREGNAN-20-ONE, 3-AMINO-, (3.ALPHA.,5.ALPHA.)-1-((3R,5S,8R,9S,10S,13S,14S,17S)-3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)ethanoneRefChem:141723DTXCID601016642(3ALPHA,5ALPHA)-3-AMINOPREGNAN-20-ONE
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 502
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 126 ° · 126°
- alpha
- 95 ° · D +95° (c = 1.7 in chloroform)
- Boiling point
- 419.9 · 419.9±18.0 °C(Predicted)
- Density
- 1.014 · 1.014±0.06 g/cm3(Predicted)
- pka
- 9.18 · 9.18(at 25℃)
- FDA UNII
- 29 N9T471HT · 29N9T471HT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Toxicity
- 50 i.v · LD50 i.v. in mice: 30 mg/kg (Lacassagne)
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
- Toxicity
- LD50 i.v. in mice: 30 mg/kg (Lacassagne)
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
四川省维克奇生物科技有限公司18108052721 17743264324 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]
Additional notes
DefinitionChEBI: Funtumine is a steroid. It derives from a hydride of a pregnane.
Related reactions
0 records
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Compound notes
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