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Dutasteride chemical structure, C27H30F6N2O2, CAS 164656-23-9
2D chemical structure

Key facts

What buyers check first

CAS number
164656-23-9
Formula
C27H30F6N2O2
Molar mass
528.54 g/mol
EC number
638-758-5
HS code
293379
Category
Pharmaceuticals and APIs

What is Dutasteride?

Plain description, key identifiers and synonyms

Dutasteride is an aza-steroid that is inasteride 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. It has a role as an EC 1.3.1.22 [3-oxo-5alpha-steroid 4-dehydrogenase (NADP(+))] inhibitor and an antihyperplasia drug. It is an aza-steroid, a delta-lactam and a member of (trifluoromethyl)benzenes. It derives from a hydride of a 5alpha-androstane.

Dutasteride is a hormone replacement medication.

Identifiers

Registry numbers, names and line notations, tap to copy

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 number
164656-23-9 CAS number cross-checked
EC number
638-758-5
Molecular formula
C27H30F6N2O2
UNII
O0J6XJN02I
MDL number
MFCD00937869
InChIKey
JWJOTENAMICLJG-QWBYCMEYSA-N
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
Canonical SMILES
CC12C=CC(=O)NC1CCC1C2CCC2(C)C(C(=O)Nc3cc(C(F)(F)F)ccc3C(F)(F)F)CCC12
Isomeric 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

Synonyms

  • Avodart
  • Avolve
  • Duastride
  • GI 198745
  • GG 745
  • Dutasterida
  • (5alpha,17beta)-N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide
  • alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxy-2',5'-xylidide
  • Jalyn component dutasteride
  • N-[2,5-bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide
  • (1S,2R,7R,10S,11S,14S,15S)-N-[2,5-bis(trifluoromethyl)phenyl]-2,15-dimethyl-5-oxo-6-azatetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-3-ene-14-carboxamide
  • dutasteridum
  • N-(2,5-bis(trifluoromethyl)phenyl)-3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxamide
  • (1S,2R,7R,10S,11S,14S,15S)-N-(2,5-bis(trifluoromethyl)phenyl)-2,15-dimethyl-5-oxo-6-azatetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-3-ene-14-carboxamide
  • 745, GG
  • 17beta-N-(2,5-bis(trifluoromethyl))phenyl-carbamoyl-4-aza-5alpha-androst-1-en-3-one
  • Avolve,(5alpha,17beta)-N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-azaandrost-1-ene-17-carboxamide
  • Duagen
  • (1S,3aS,3bS,5aR,9aR,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
  • (5alpha,17beta)-N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-4- Aza -androst-1-ene-17-carboxamide
  • Avodart (TN)
  • Dutasterid
  • Avidart
  • Duprost
  • Avidart,
Show all 32 synonyms
  • Avodart,
  • Dutagen,
  • Dutasteride CRS
  • Avolve,
  • Duagen,
  • Dutas,
  • Dutasteride (Standard)

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
528.54 g/molcalc.
Exact mass
528.2211 Dacalc.
LogP (octanol/water)
6.58calc.
Topological polar surface area
58.2 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
37calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Fails (2 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C1C=CC2C(CCC3C2CCC2C(C(=O)Nc4ccccc4)CCC23)N1

O=C1C=CC2C(CCC3C2CCC2C(C(=O)Nc4ccccc4)CCC23)N1

5 rings, 27 atoms.

7 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H351Suspected of causing cancer.
  • H360May damage fertility or the unborn child.
  • H360FDMay damage fertility. May damage the unborn child.
  • H410Very toxic to aquatic life with long lasting effects.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (7)
  • P203Obtain, read and follow all safety instructions before use.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P318If exposed or concerned, get medical advice.
  • P391Collect spillage.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Dutasteride suppliers

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Dutasteride price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • 5-alpha Reductase Inhibitors

Roles

  • antihyperplasia drug
  • enzyme inhibitor
  • pharmaceutical

Pharmacology

Dutasteride is a 5-alpha Reductase Inhibitor. The mechanism of action of dutasteride is as a 5-alpha Reductase Inhibitor.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dutasteride is traded under.

HS 2933.79Indicative HS code

Lactams, other lactams

World exports in 2024
$16.2B
−64.4% vs 2023, imports $15.4B
2019 to 2024
Top exporters
  1. Ireland37.0%
  2. France * partner reported15.6%
  3. Spain11.3%
Top importers
  1. Germany27.8%
  2. Ireland18.9%
  3. Panama * partner reported12.9%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Dutasteride is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dutasteride, based on the data on this page

What is Dutasteride?

Dutasteride is an aza-steroid that is inasteride in which the tert-butyl group is replaced by a 2,5-bis(trifluoromethyl)phenyl group.

What is the CAS number of Dutasteride?

The CAS registry number of Dutasteride is 164656-23-9.

What is the molecular formula and weight of Dutasteride?

The molecular formula of Dutasteride is C27H30F6N2O2 and its molar mass is 528.54 g/mol.

What is Dutasteride used for?

Known uses and roles of Dutasteride include antihyperplasia drug, enzyme inhibitor, pharmaceutical and 5-alpha reductase inhibitors.

Is Dutasteride hazardous?

Dutasteride carries the GHS signal word "Danger". Main hazards: suspected of causing cancer, may damage fertility or the unborn child, may damage fertility. may damage the unborn child. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Dutasteride?

Dutasteride is usually classified under HS code 293379 (Lactams, other lactams). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dutasteride?

CompoundList lists 151 suppliers of Dutasteride in China, India, United States, Germany and 18 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Dutasteride in India?

37 suppliers in India list Dutasteride on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Dutasteride?

Suppliers quote Dutasteride on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Dutasteride

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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