68-96-2
Product Name:
17α-Hydroxyprogesterone
Formula:
C21H30O3
Synonyms:
17α-Hydroxy-4-pregnene-3,20-dione;4-Pregnen-17α-ol-3,20-dione
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CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Solid |
|---|---|
| Color/Form | RHOMBIC OR HEXAGONAL LEAFLETS FROM ACETONE OR ALCOHOL |
| Melting Point | 222-223 °C |
| Solubility | 0.00648 mg/mL |
| LogP | 3.17 |
| Stability/Shelf Life | CRYSTALS SHOULD NOT BE EXPOSED TO HEAT & LIGHT /CAPROATE/ |
| Optical Rotation | SPECIFIC OPTICAL ROTATION (CHLOROFORM, 1.0417%): +105.6 DEG @ 17 °C/D |
| Collision Cross Section | 183.4 Ų [M+H]+ [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 2991.9 |
| Other Experimental Properties | ODORLESS OR HAS SLIGHT ODOR /CAPROATE/ |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H411:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P391:Collect spillage. Hazardous to the aquatic environment P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
| Molecular Weight | 330.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 330.21949481 g/mol |
| Monoisotopic Mass | 330.21949481 g/mol |
| Topological Polar Surface Area | 54.4 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 635 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 6 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
17alpha-hydroxyprogesterone is a 17alpha-hydroxy steroid that is the 17alpha-hydroxy derivative of progesterone. It has a role as a metabolite, a progestin, a human metabolite and a mouse metabolite. It is a 17alpha-hydroxy steroid, a 17alpha-hydroxy-C21-steroid and a tertiary alpha-hydroxy ketone. It is functionally related to a progesterone.