Basic information
- CAS
2000-66-0- Standard SMILES
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C- InChIKey
RJKFOVLPORLFTN-UHFFFAOYSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Overview
17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one is a corticosteroid hormone.
Names & identifiers
- Preferred name
- 1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
- IUPAC
- 17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- English name
- (17α)-Pregn-4-ene-3,20-dione
- Molecular formula
- C21H30O2
- Molecular weight
- 314.46
Names & synonyms
1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one1-acetyl-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta(a)phenanthren-7-oneRefChem:429015112-169-917-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneDelta4 -Pregnen-3,20-dioneNORIT A(R)NCIOpen2_008018CHEMBL125608orb1224605orb1310573SCHEMBL5021330
Show more names
Isoprogesterone17α-Progesterone17-IsoprogesteroneProgesterone Impurity MProgesterone EP Impurity MPregn-4-ene-3,20-dione, (17α)-Progesterone Impurity M (17-alpha-Progesterone)Progesterone EP Impurity M (17-alpha-Progesterone)Progesterone Impurity 14(Progesterone EP Impurity M)(8S,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 589
Experimental & physicochemical properties
DrugsPharmaceuticals
LogP3.7
Physicochemical properties
- Melting point
- 145 °C · 145 °C
- Boiling point
- 447.2 · 447.2±45.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- storage temp.
- Refrigerator
- solubility
- Chloroform (Slightly), Dioxane (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- InChI
- InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17-,18-,19-,20-,21+/s3
- InChIKey
- RJKFOVLPORLFTN-LINJWTMNNA-N
- SMILES
- C[C@]12CCC(=O)C=C1CC[C@@]1([H])[C@]3([H])CC[C@@H](C(=O)C)[C@@]3(C)CC[C@]21[H] |&1:1,10,12,16,20,24,r|
- FDA UNII
- 9 G358XQX · QF9G358XQX
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
Warning
H361fd (100%): Suspected of damaging fertility; Suspected of damaging the unborn child [Warning 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. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses17α-Progesterone is a testosterone precursror generated from cholesterol. Also used as a diagnostic agent in the identification and study of ovarian Leydig cell tumor disease.
Suppliers45 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海科骊科生物技术有限公司021-34975789 18721102763 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
济南启源生物科技有限公司18766124282; 18766124282 · [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]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
Related reactions
1 records
Compound notes
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