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Home> Encyclopedia >Hormones and synthetic substitutes>Pharmaceutical Intermediates>Organic Intermediate
Hydroxyprogesterone acetate structure
Hydroxyprogesterone acetate structure

Hydroxyprogesterone acetate

Iupac Name:[(8R,9S,10R,13S,14S,17R)-17-acetyl-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate
CAS No.: 302-23-8
Molecular Weight:372.5
Modify Date.: 2023-01-09 10:04
Introduction: An impurity in steroid drug Megestrol acetate (M208050). Hydroxyprogesterone acetateSupplier View more+
1. Names and Identifiers
1.1 Name
Hydroxyprogesterone acetate
1.2 Synonyms

17-(Acetyloxy)pregn-4-ene-3,20-dione 17-(Acetyloxy)progesterone 17a-Acetoxy Progesterone 17a-Acetoxypregn-4-ene-3,20-dione 17a-Acetoxyprogesterone 17-Acetoxypregn-4-ene-3,20-dione 17-Acetoxyprogesterone 17a-Hydroxypregn-4-ene-3,20-dioneacetate 17-alpha-Hydroxylprogesterone 17-Hydroxyprogesterone acetate 17α-acetoxy-4-pregnene-3,20-dione 17α-Acetoxypregn-4-ene-3,20-dione 17α-Hydroxy-4-pregnene-3,20-dione 17α-acetate 17α-Hydroxypregn-4-ene-3,20-dione acetate 17α-hydroxyprogesterone 17-acetate 6-Bromo-6-dehydro-17α6,7-Dehydro-17α17A-HYDROXYPROGESTERONE 17-ACETATE VETRA Acetoxyprogesterone HYDROXYPROGESTERONE, 17a-(RG) NSC 12191 Pregn-4-ene-3,20-dione, 17-(acetyloxy)- Pregn-4-ene-3,20-dione, 17-hydroxy-, acetate Pregn-4-ene-3,20-dione,17-hydroxy-, acetate (8CI) Progesterone acetate Progesterone, 17-hydroxy-, acetate Progesterone, 17-hydroxy-, acetate (6CI) U 5533

1.3 CAS No.
302-23-8
1.4 CID
10156152
1.5 EINECS(EC#)
206-119-6
1.6 Molecular Formula
C23H32O4 (isomer)
1.7 Inchi
InChI=1S/C23H32O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h13,18-20H,5-12H2,1-4H3/t18-,19+,20+,21+,22+,23+/m1/s1
1.8 InChkey
VTHUYJIXSMGYOQ-KOORYGTMSA-N
1.9 Canonical Smiles
CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)OC(=O)C
1.10 Isomers Smiles
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)OC(=O)C
2. Properties
2.1 Density
1.0415 (rough estimate)
2.1 Melting point
249-250°C
2.1 Boiling point
421.94°C (rough estimate)
2.1 Refractive index
1.4433 (estimate)
2.1 Flash Point
211.6 °C
2.1 Precise Quality
372.23000
2.1 PSA
60.44000
2.1 logP
4.26510
2.1 Λmax
241nm(EtOH)(lit.)
2.2 Appearance
white powder
2.3 Storage
Refrigerator
2.4 Chemical Properties
Off-White Solid
2.5 Color/Form
Powder
2.6 StorageTemp
Sealed in dry,2-8°C
3. Use and Manufacturing
3.1 Usage
An impurity in steroid drug Megestrol acetate (M208050). Hydroxyprogesterone acetateSupplier
4. Safety and Handling
4.1 Hazard Codes
Xn
4.1 Risk Statements
40-48
4.1 Safety Statements
22-24/25-45
4.1 Hazard Declaration
H351
4.1 RIDADR
UN 2811 6.1/PG 2
4.1 Caution Statement
P280
4.1 WGK Germany
3
4.1 RTECS
TU5074000
4.1 Safety

Hazard Codes:?HarmfulXn
Risk Statements: 40-48?
R40:Limited evidence of a carcinogenic effect.?
R48:Danger of serious damage to health by prolonged exposure.
Safety Statements: 22-24/25-45?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 3
RTECS: TU5074000
Experimental reproductive effects. A steroid. When heated to decomposition it emits acrid smoke and irritating fumes.

4.2 Specification

?Prodox acetate (CAS NO.302-23-8) is also named as 17-(Acetyloxy)pregn-4-ene-3,20-dione ; 17-AP ; 17-Acetoxyprogesterone ; 17-Hydroxypregn-4-ene-3,20-dione acetate ; 17-Hydroxyprogesterone 17alpha-acetate ; 17-Hydroxyprogesterone acetate ; 17alpha-Acetoxypregnen-4-en-3,20-dion ; 17alpha-Acetoxyprogesterone ; 3,20-Dioxo-4-pregnen-17alpha-yl acetate ; Acetoxyprogesterone ;?Hydroxyprogesterone acetate ; NSC 12191 ; Prokan ; U 5533 .?Prodox acetate (CAS NO.302-23-8) is white powder.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Carcinogenicity, Category 2

Reproductive toxicity, Category 1A

Reproductive toxicity, Additional category for effects on or via lactation

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H351 Suspected of causing cancer

H360 May damage fertility or the unborn child

H362 May cause harm to breast-fed children

H413 May cause long lasting harmful effects to aquatic life

Precautionary statement(s)
Prevention

P201 Obtain special instructions before use.

P202 Do not handle until all safety precautions have been read and understood.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

P260 Do not breathe dust/fume/gas/mist/vapours/spray.

P263 Avoid contact during pregnancy and while nursing.

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P308+P313 IF exposed or concerned: Get medical advice/ attention.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

7. Other Information
7.0 BRN
2227870
7.1 Chemical Properties
Off-White Solid
7.2 Uses
Progesterone Acetate (Megestrol Acetate EP Impurity K) is an impurity in steroid drug Megestrol acetate (M208050).
7.3 Uses
An impurity in steroid drug Megestrol acetate (M208050).
8. Computational chemical data
  • Molecular Weight: 372.5g/mol
  • Molecular Formula: C23H32O4
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 372.23005950
  • Monoisotopic Mass: 372.23005950
  • Complexity: 737
  • Rotatable Bond Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 60.4
  • Heavy Atom Count: 27
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADcfB4OAAAAAAAAAAAAAAAAAAAAYAAAAAwYIAAAAAAAGDAAAAAGgAAAAAAD0SAgAACCAAABACIAqDSCAIAAAAgAAAACAFAAEgAABIAAQQCAAAEgAAIAQOIyPCPgAAAAAAAAACAAAQAACAAAYAADAAAAA==
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