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Isotope-labelled compounds

D4 Pregnane

Also known as (5R,8S,9S,10S,13R,14S,17S)-2,2,4,4-tetradeuterio-17-ethyl-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene, Pregnane-d4

CAS 205529-77-7Formula C21H36Molar mass 292.54 g/mol
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D4 Pregnane chemical structure, C21H36, CAS 205529-77-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
205529-77-7
Formula
C21H36
Molar mass
292.54 g/mol
HS code
284590
Category
Isotope-labelled compounds

What is D4 Pregnane?

Plain description, key identifiers and synonyms

D4 Pregnane is a chemical substance with the molecular formula C21H36 and a molar mass of 292.54 g/mol. Its CAS registry number is 205529-77-7. The IUPAC name is (5R,8S,9S,10S,13R,14S,17S)-2,2,4,4-tetradeuterio-17-ethyl-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(5R,8S,9S,10S,13R,14S,17S)-2,2,4,4-tetradeuterio-17-ethyl-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
CAS number
205529-77-7
Molecular formula
C21H36
InChIKey
JWMFYGXQPXQEEM-MPVKRWKASA-N
InChI
InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16+,17-,18-,19-,20-,21+/m0/s1/i6D2,7D2
Canonical SMILES
CCC1CCC2C3CCC4CCCCC4(C)C3CCC12C
Isomeric SMILES
[2H]C1(C[C@@]2([C@H]3CC[C@@]4([C@H](CC[C@H]4[C@@H]3CC[C@H]2C(C1)([2H])[2H])CC)C)C)[2H]

Synonyms

  • (5R,8S,9S,10S,13R,14S,17S)-2,2,4,4-tetradeuterio-17-ethyl-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
  • Pregnane-d4

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
292.54 g/molcalc.
Exact mass
292.3068 Dacalc.
LogP (octanol/water)
6.45calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
1calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
7calc.
Lipinski rule of five
Passes (1 violation)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, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 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.

D4 Pregnane suppliers

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D4 Pregnane 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

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 D4 Pregnane 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 D4 Pregnane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about D4 Pregnane, based on the data on this page

What is D4 Pregnane?

D4 Pregnane is a chemical substance with the molecular formula C21H36 and a molar mass of 292.54 g/mol. Its CAS registry number is 205529-77-7. The IUPAC name is (5R,8S,9S,10S,13R,14S,17S)-2,2,4,4-tetradeuterio-17-ethyl-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene.

What is the CAS number of D4 Pregnane?

The CAS registry number of D4 Pregnane is 205529-77-7.

What is the molecular formula and weight of D4 Pregnane?

The molecular formula of D4 Pregnane is C21H36 and its molar mass is 292.54 g/mol.

What is D4 Pregnane used for?

Known uses and roles of D4 Pregnane include isotope-labelled compounds in research and laboratory.

Is D4 Pregnane hazardous?

No GHS hazard classification for D4 Pregnane 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 D4 Pregnane?

D4 Pregnane 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 D4 Pregnane?

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What is the price of D4 Pregnane?

Suppliers quote D4 Pregnane 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 D4 Pregnane

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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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