Dutasteride

Iupac Name：(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-9a,
11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,
4-f]quinoline-1-carboxamide

CAS No.: 164656-23-9

Molecular Weight：528.529719

Modify Date.: 2022-11-01 06:11

Introduction: Used in the treatment of benign prostatic hyperplasia. Dual inhibitor of 5a-reductase isoenzymes type 1 and 2; structurally related to Finasteride. View more+

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1. Names and Identifiers

1.1 Name: Dutasteride
1.2 Synonyms: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-[2,5-Bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxamide (5α,17β)-N-[(2,5-Bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5-androst-1-ene-17-carboxamide 1H-Indeno(5,4-f)quinoline-7-carboxamide,N-(2,5-bis(trifluoromethyl)phenyl)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- 1H-Indeno[5,4-f]quinoline-7-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)- 4-Azaandrost-1-ene-17-carboxamide, N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-, (5α,17β)- 4-Azaandrost-1-ene-17-carboxamide,N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-, (5a,17b)- alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide Avodart Avolve GG 745 GI 198745 Veltride

1.3 CAS No.: 164656-23-9

1.4 CID: 6918296

1.5 EINECS(EC#): 1308068-626-2

1.6 Molecular Formula: C27H30F6N2O2 (isomer)

1.7 Inchi: InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21+,24-,25+/m0/s1

1.8 InChkey: JWJOTENAMICLJG-QWBYCMEYSA-N

1.9 Canonical Smiles: CC12CCC3C(C1CCC2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CCC5C3(C=CC(=O)N5)C

1.10 Isomers Smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C

2. Properties

2.1 Density: 1.303

2.1 Melting point: 242-250℃

2.1 Boiling point: 620.3 °C at 760 mmHg

2.1 Refractive index: 1.523

2.1 Flash Point: 329 °C

2.1 Precise Quality: 528.22100

2.1 PSA: 58.20000

2.1 logP: 6.97790

2.1 Solubility: DMSO: soluble2mg/mL, clear

2.2 Appearance: White Crystalline Solid

2.3 Storage: -20°C Freezer

2.4 Chemical Properties: White Crystalline Solid

2.5 Color/Form: Powder

2.6 pKa: 13.32±0.70(Predicted)

2.7 Water Solubility: DMSO: soluble2mg/mL, clear

3. Use and Manufacturing

3.1 Definition: ChEBI: Finasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.

3.2 Usage: Used in the treatment of benign prostatic hyperplasia. Dual inhibitor of 5a-reductase isoenzymes type 1 and 2; structurally related to Finasteride.

4. Safety and Handling

4.1 Specification: The teratogenic effect of?Dutasteride (CAS NO.164656-23-9):?
?Dutasteride is harmful to male children. Women who are pregnant should not handle the capsules, as inadvertent consumption could cause birth defects of the male fetus.

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Reproductive toxicity, Category 1B

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Danger
Hazard statement(s)	H360 May damage fertility or the unborn child H412 Harmful to aquatic life with long lasting effects
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. 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

View all

6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

7. Other Information

7.0 Side Effects: Erectile dysfunction, reduced libido, breast diseases (including enlarged or swelling breasts), ejaculation difficulties and dizziness.

7.1 Contradictions: Not to be used by women and children.

7.2 Chemical Properties: White Crystalline Solid

7.3 Uses: Used in the treatment of benign prostatic hyperplasia. Dual inhibitor of 5a-reductase isoenzymes type 1 and 2; structurally related to Finasteride.

7.4 Uses: Used in the treatment of benign prostatic hyperplasia. Dual inhibitor of 5α-reductase isoenzymes type 1 and 2; structurally related to Finasteride.

7.5 Uses: antihypertensive, ACE inhiibitor

7.6 Uses: Dutasteride is a dual inhibitor of 5α-reductase isoenzymes type 1 and 2; structurally related to Finasteride (F342000). Dutasteride is used in the treatment of benign prostatic hyperplasia.

7.7 Definition: ChEBI: Finasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group. A synthetic 4-azasteroid, dutasteride is a selective inhibitor of both the type 1 and type 2 isoforms of steroid 5alpha-reductase an intracellular enzyme that converts testosterone to 5alpha-dihydrotestosterone. Dutasteride is used for the treatment of symptomatic benign prostatic hyperplasia in men with an enlarged prostate gland.

7.8 Brand name: Avodart (GlaxoSmithKline).

8. Computational chemical data

Molecular Weight: 528.529719g/mol
Molecular Formula: C₂₇H₃₀F₆N₂O₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 528.22114718
Monoisotopic Mass: 528.22114718
Complexity: 964
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 8
Topological Polar Surface Area: 58.2
Heavy Atom Count: 37
Defined Atom Stereocenter Count: 7
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: AAADceB7McAAAAAAAAAAAAAAAAAAAYAAAAAwYMEAAAAAAGDBAAAAHwAQAAAADyjBmBQywILAAACIAiVSUACCAAAhAgAIiIEIZMgIIDLAkZGEIAhglgDIyYcYiMCPwAAAQAACAACQAASAACQAAQAACAAAAA==

9. Question & Answer

Where can I find Dutasteride 2.5mg? Dec 19 2021
First move would be asking your pharmacy to check with their wholesaler. If that is no help, ask whomever prescribed it for you just where their patients get it.

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