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Impurities and reference standards

Treprostinil impurity 2

Also known as Treprostinil intermediate, Treprostinil Descarboxy, Treprostinil Impurity B

CAS 101692-01-7Formula C22H34O3Molar mass 346.51 g/mol
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Treprostinil impurity 2 chemical structure, C22H34O3, CAS 101692-01-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
101692-01-7
Formula
C22H34O3
Molar mass
346.51 g/mol
HS code
290949
Category
Impurities and reference standards

What is Treprostinil impurity 2?

Plain description, key identifiers and synonyms

Treprostinil impurity 2 is a chemical substance with the molecular formula C22H34O3 and a molar mass of 346.51 g/mol. Its CAS registry number is 101692-01-7. The IUPAC name is (1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol
CAS number
101692-01-7
Molecular formula
C22H34O3
InChIKey
DOKGVQFKRMEKJX-ZFORQUDYSA-N
InChI
InChI=1S/C22H34O3/c1-3-4-5-8-17(23)10-11-18-19-12-15-7-6-9-22(25-2)20(15)13-16(19)14-21(18)24/h6-7,9,16-19,21,23-24H,3-5,8,10-14H2,1-2H3/t16-,17-,18+,19-,21+/m0/s1
Canonical SMILES
CCCCCC(O)CCC1C(O)CC2Cc3c(cccc3OC)CC21
Isomeric SMILES
CCCCC[C@@H](CC[C@H]1[C@@H](C[C@H]2[C@@H]1CC3=C(C2)C(=CC=C3)OC)O)O

Synonyms

  • Treprostinil intermediate
  • Treprostinil Descarboxy
  • Treprostinil Impurity B
  • (1R,2R,3aS,9aS)-1-((S)-3-hydroxyoctyl)-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[B]naphthalen-2-ol
  • (S,1R,2R,3aS,9aS)-2,3,3a,4,9,9a-Hexahydro-2-hydroxy-5-methoxy--pentyl-1H-benz[f]indene-1-propanol

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
346.51 g/molcalc.
Exact mass
346.2508 Dacalc.
LogP (octanol/water)
4.13calc.
Topological polar surface area
49.69 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
8calc.
Heavy atoms
25calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.73calc.
Formal charge
0calc.
Stereocentres
5calc.
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, c1ccc2c(c1)CC1CCCC1C2

c1ccc2c(c1)CC1CCCC1C2

3 rings, 13 atoms.

20 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.

Treprostinil impurity 2 suppliers

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Treprostinil impurity 2 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

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 Treprostinil impurity 2 is traded under.

HS 2909.49Indicative HS code

Ether-alcohols and their halogenated not elsewhere classified in subheading 2909.4

World exports in 2024
$1.74B
+6.8% vs 2023, imports $1.86B
2019 to 2024
Top exporters
  1. Germany20.6%
  2. China13.9%
  3. Netherlands12.2%
Top importers
  1. China8.8%
  2. Germany8.3%
  3. United States7.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Treprostinil impurity 2 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Treprostinil impurity 2, based on the data on this page

What is Treprostinil impurity 2?

Treprostinil impurity 2 is a chemical substance with the molecular formula C22H34O3 and a molar mass of 346.51 g/mol. Its CAS registry number is 101692-01-7. The IUPAC name is (1R,2R,3aS,9aS)-1-[(3S)-3-hydroxyoctyl]-5-methoxy-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-2-ol.

What is the CAS number of Treprostinil impurity 2?

The CAS registry number of Treprostinil impurity 2 is 101692-01-7.

What is the molecular formula and weight of Treprostinil impurity 2?

The molecular formula of Treprostinil impurity 2 is C22H34O3 and its molar mass is 346.51 g/mol.

Is Treprostinil impurity 2 hazardous?

No GHS hazard classification for Treprostinil impurity 2 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 Treprostinil impurity 2?

Treprostinil impurity 2 is usually classified under HS code 290949 (Ether-alcohols and their halogenated, sulphonated, nitrated or nitrosated derivatives…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Treprostinil impurity 2?

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What is the price of Treprostinil impurity 2?

Suppliers quote Treprostinil impurity 2 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 Treprostinil impurity 2

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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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