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Isotope-labelled compounds

Dutasteride-13C6

Also known as Dutasteride-(1)(3)C6

CAS 1217685-27-2Formula C27H30F6N2O2Molar mass 534.49 g/mol
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Dutasteride-13C6 chemical structure, C27H30F6N2O2, CAS 1217685-27-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1217685-27-2
Formula
C27H30F6N2O2
Molar mass
534.49 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is Dutasteride-13C6?

Plain description, key identifiers and synonyms

Dutasteride-13C6 is a chemical substance with the molecular formula C27H30F6N2O2 and a molar mass of 534.49 g/mol. Its CAS registry number is 1217685-27-2. The IUPAC name is (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]-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
1217685-27-2
Molecular formula
C27H30F6N2O2
MDL number
MFCD19705140
InChIKey
JWJOTENAMICLJG-JADBXJRRSA-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/i3+1,5+1,13+1,14+1,18+1,20+1
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)N[13C]4=[13C]([13CH]=[13CH][13C](=[13CH]4)C(F)(F)F)C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5)C

Synonyms

  • Dutasteride-(1)(3)C6

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
534.49 g/molcalc.
Exact mass
534.2413 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

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Dutasteride-13C6 suppliers

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Dutasteride-13C6 price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Dutasteride-13C6 is traded under.

HS 2845.90Indicative HS code

Compounds, inorganic or organic, of such isotopes, whether or not chemically defined

World exports in 2024
$2.67B
+19.0% vs 2023, imports $1.67B
2019 to 2024
Top exporters
  1. Ireland55.3%
  2. Hong Kong11.8%
  3. United States10.7%
Top importers
  1. China24.3%
  2. Ireland21.9%
  3. South Korea13.3%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Dutasteride-13C6 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Dutasteride-13C6, based on the data on this page

What is Dutasteride-13C6?

Dutasteride-13C6 is a chemical substance with the molecular formula C27H30F6N2O2 and a molar mass of 534.49 g/mol. Its CAS registry number is 1217685-27-2.

What is the CAS number of Dutasteride-13C6?

The CAS registry number of Dutasteride-13C6 is 1217685-27-2.

What is the molecular formula and weight of Dutasteride-13C6?

The molecular formula of Dutasteride-13C6 is C27H30F6N2O2 and its molar mass is 534.49 g/mol.

What is Dutasteride-13C6 used for?

Known uses and roles of Dutasteride-13C6 include isotope-labelled compounds in research and laboratory.

Is Dutasteride-13C6 hazardous?

No GHS hazard classification for Dutasteride-13C6 is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Dutasteride-13C6?

Dutasteride-13C6 is usually classified under HS code 284590 (Isotopes other than those of heading 2844, compounds, inorganic or organic, of such…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Dutasteride-13C6?

CompoundList lists 1 supplier of Dutasteride-13C6 in India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Dutasteride-13C6 in India?

1 supplier in India list Dutasteride-13C6 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-13C6?

Suppliers quote Dutasteride-13C6 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

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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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