6-Dehydroprogesterone
Basic information
- CAS
1162-56-7- Standard SMILES
CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C- InChIKey
JGMOKGBVKVMRFX-LEKSSAKUSA-N- Molecular formula
- C21H28O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.20893013
Names & identifiers
- Preferred name
- 6-Dehydroprogesterone
- IUPAC
- (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
- English name
- Pregna-4,6-diene-3,20-dione
- Molecular formula
- C21H28O2
- Molecular weight
- 312.45
Names & synonyms
Pregna-4,6-diene-3,20-dione6-Dehydroprogesteronedelta6-Progesterone.delta.6-Progesterone4,6-Pregnadiene-3,20-dioneUNII-EF38VA583PEF38VA583PPROGESTERONE IMPURITY H [EP IMPURITY]DYDROGESTERONE IMPURITY B [EP IMPURITY]PROGESTERONE IMPURITY H (EP IMPURITY)DYDROGESTERONE IMPURITY B (EP IMPURITY)RefChem:104488
Show more names
DehydroprogesteroneDydrogesterone EP Impurity BΔ6-ProgesteroneCIS-DYDROGESTERONE6-DehydropprogesteroneProgesterone Impurity HProgesterone Derivatives
JGMOKGBVKVMRFX-LEKSSAKUSA-N1162-56-7Delta-6-progesteroneMFCD00199858Dydrogesterone impurity B(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one(8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-oneProgesterone EP Impurity H
Database identifiers
- CAS
1162-56-7- PubChem CID
- 101994
- ChEMBL
CHEMBL4101936- UNII
- EF38VA583P
- EC Number
- 112-394-2
- Nikkaji
- J28.121B
Properties
Computed structural properties
- XLogP
- 3.8
- 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
- 628
Physicochemical properties
- Melting point
- 147 · 147-148 °C(Solv: hexane (110-54-3))
- Boiling point
- 462.8 · 462.8±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- color
- White to Off-White
- InChI
- InChI=1S/C21H28O2/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/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
- InChIKey
- JGMOKGBVKVMRFX-LEKSSAKUSA-N
- SMILES
- C1(=O)C=C2[C@](C)(CC1)[C@]1([H])[C@]([H])([C@@]3([H])[C@@](CC1)(C)[C@@H](C(=O)C)CC3)C=C2
- CAS DataBase Reference
- 1162 · 1162-56-7(CAS DataBase Reference)
- FDA UNII
- 38 VA583P · EF38VA583P
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
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
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P263, P264, P270, 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 CategoriesCarc. 2 (100%)
Safety data
- hs_code
- 2937230000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Uses6-Dehydroprogesterone is an impurity found in progesterone.
Uses6-Dehydroprogesterone is an impurity found in progesterone (P755900).
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…