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Steroids and sterols

4-Nitroestrone

Also known as 3-Hydroxy-4-nitroestra-1,3,5(10)-trien-17-one, 1,3,5(10)-Estratrien-4-nitro-3-ol-17-one, Estra-1,3,5(10)-trien-17-one, 3-hydroxy-4-nitro-

CAS 5976-74-9Formula C18H21NO4Molar mass 315.37 g/mol
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4-Nitroestrone chemical structure, C18H21NO4, CAS 5976-74-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
5976-74-9
Formula
C18H21NO4
Molar mass
315.37 g/mol
HS code
291479
Category
Steroids and sterols

What is 4-Nitroestrone?

Plain description, key identifiers and synonyms

4-Nitroestrone is a 3-hydroxy steroid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8R,9S,13S,14S)-3-hydroxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
CAS number
5976-74-9 CAS number cross-checked
Molecular formula
C18H21NO4
UNII
IM60NNH5BH
InChIKey
WNYWRAYXFFPPGN-QDTBLXIISA-N
InChI
InChI=1S/C18H21NO4/c1-18-9-8-11-10-4-6-15(20)17(19(22)23)13(10)3-2-12(11)14(18)5-7-16(18)21/h4,6,11-12,14,20H,2-3,5,7-9H2,1H3/t11-,12-,14+,18+/m1/s1
Canonical SMILES
CC12CCC3c4ccc(O)c([N+](=O)[O-])c4CCC3C1CCC2=O
Isomeric SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4[N+](=O)[O-])O

Synonyms

  • 3-Hydroxy-4-nitroestra-1,3,5(10)-trien-17-one
  • 1,3,5(10)-Estratrien-4-nitro-3-ol-17-one
  • Estra-1,3,5(10)-trien-17-one, 3-hydroxy-4-nitro-
  • (8R,9S,13S,14S)-3-hydroxy-13-methyl-4-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

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
315.37 g/molcalc.
Exact mass
315.1471 Dacalc.
LogP (octanol/water)
3.73calc.
Topological polar surface area
80.44 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 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=C1CCC2C1CCC1c3ccccc3CCC12

O=C1CCC2C1CCC1c3ccccc3CCC12

4 rings, 18 atoms.

176 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.

4-Nitroestrone suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

No supplier listings yet

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4-Nitroestrone price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 4-Nitroestrone is traded under.

HS 2914.79Indicative HS code

Halogenated, sulphonated, nitrated or nitrosated derivatives, other

World exports in 2024
$558M
−12.1% vs 2023, imports $608M
2019 to 2024
Top exporters
  1. China41.2%
  2. India * partner reported28.7%
  3. Germany16.7%
Top importers
  1. United States29.1%
  2. Italy9.9%
  3. Switzerland * partner reported8.8%

* Partner reported figures, a lower bound.

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

The HS code shown for 4-Nitroestrone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 4-Nitroestrone, based on the data on this page

What is 4-Nitroestrone?

4-Nitroestrone is a 3-hydroxy steroid.

What is the CAS number of 4-Nitroestrone?

The CAS registry number of 4-Nitroestrone is 5976-74-9.

What is the molecular formula and weight of 4-Nitroestrone?

The molecular formula of 4-Nitroestrone is C18H21NO4 and its molar mass is 315.37 g/mol.

Is 4-Nitroestrone hazardous?

No GHS hazard classification for 4-Nitroestrone 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 4-Nitroestrone?

4-Nitroestrone is usually classified under HS code 291479 (Halogenated, sulphonated, nitrated or nitrosated derivatives, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 4-Nitroestrone?

Post a free request on CompoundList and suppliers of 4-Nitroestrone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 4-Nitroestrone?

Suppliers quote 4-Nitroestrone 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 4-Nitroestrone

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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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