Basic information
- CAS
19351-17-8- Standard SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@@H]4[C@H]3CC[C@@]21CC- InChIKey
PTHVTSMKEGKAHY-ZENBKHFWSA-N- Molecular formula
- C21H32O2
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24023026
Names & identifiers
- Preferred name
- 3beta,5beta-Tetrahydro Norgestrel
- IUPAC
- (3S,5R,8R,9R,10S,13S,14S,17R)-13-ethyl-17-ethynyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- 13-Ethyl-18,19-dinor-5β,17α-pregn-20-yne-3β,17-diol
- Molecular formula
- C21H32O2
- Molecular weight
- 316.48
Names & synonyms
19351-17-83beta,5beta-Tetrahydro Norgestrel(3S,5R,8R,9R,10S,13S,14S,17R)-13-Ethyl-17-ethynyl-2,3,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol3|A,5|A-Tetrahydro Norgestrel3-beta,5-beta-Tetrahydro Levonorgestrel3|_,5|_-Tetrahydro NorgestrelDTXSID80858460G91179(1R,3aS,3bR,5aR,7S,9aS,9bR,11aS)-11a-Ethyl-1-ethynylhexadecahydro-1H-cyclopenta[a]phenanthrene-1,7-diol(3S,5R,8R,9R,10S,13S,14S,17R)-13-Ethyl-17-ethynylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol3-beta,5-beta-Tetrahydro3β,5β-Tetrahydro Norgestrel
Show more names
3β,5β-Tetrahydro Norgestrel, CAS 19351-17-813-Ethyl-18,19-dinor-5β,17α-pregn-20-yne-3β,17-diol18,19-Dinorpregn-20-yne-3,17-diol, 13-ethyl-, (3β,5β,17α)- (9CI)
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 519
Physicochemical properties
- Boiling point
- 442 · 442.0±18.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- solubility
- Dichloromethane, Methanol
- pka
- 13.11 · 13.11±0.60(Predicted)
- form
- Solid
- color
- White
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesNorgestrel (N689500) metabolite.
Suppliers10 total
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aladdin Scientific[email protected]
深圳瑞恺德生物科技有限公司0755-61348847 17820674378 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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