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Screening compounds

Pacitran

Also known as Su 8842 hydrochloride, Methyl 18-epireserpate methyl ether hydrochloride, 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha,18-beta-trimethoxy-, methyl ester, hydrochloride

CAS 14457-27-3Formula C24H33ClN2O5Molar mass 464.99 g/mol
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Pacitran chemical structure, C24H33ClN2O5, CAS 14457-27-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
14457-27-3
Formula
C24H33ClN2O5
Molar mass
464.99 g/mol
HS code
293399
Category
Screening compounds

What is Pacitran?

Plain description, key identifiers and synonyms

Pacitran is a chemical substance with the molecular formula C24H33ClN2O5 and a molar mass of 464.99 g/mol. Its CAS registry number is 14457-27-3. The IUPAC name is methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, hydrochloride
CAS number
14457-27-3 CAS number cross-checkedOther or deprecated CAS: 1178-29-6
Molecular formula
C24H33ClN2O5
InChIKey
RVUCXCLULXWKIQ-TVFCCTGHSA-N
InChI
InChI=1S/C24H32N2O5.ClH/c1-28-14-5-6-15-16-7-8-26-12-13-9-20(29-2)23(30-3)21(24(27)31-4)17(13)11-19(26)22(16)25-18(15)10-14;/h5-6,10,13,17,19-21,23,25H,7-9,11-12H2,1-4H3;1H/t13-,17+,19-,20-,21+,23+;/m1./s1
Canonical SMILES
COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC)C1OC.Cl
Isomeric SMILES
CO[C@@H]1C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]([C@H]1OC)C(=O)OC)NC5=C4C=CC(=C5)OC.Cl

Synonyms

  • Su 8842 hydrochloride
  • Methyl 18-epireserpate methyl ether hydrochloride
  • 3-beta,20-alpha-Yohimban-16-beta-carboxylic acid, 11,17-alpha,18-beta-trimethoxy-, methyl ester, hydrochloride
  • Methyl 11,17,18-trimethoxyyohimban-16-carboxylate--hydrogen chloride (1/1)
  • Methyl 11,17alpha,18beta-trimethoxy-3beta,20alpha-yohimban-16beta-carboxylate--hydrogen chloride (1/1)

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
464.99 g/molcalc.
Exact mass
464.2078 Dacalc.
LogP (octanol/water)
3.36calc.
Topological polar surface area
73.02 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
4calc.
Heavy atoms
32calc.
Rings
5calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
2calc.
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, c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3

c1ccc2c3c([nH]c2c1)C1CC2CCCCC2CN1CC3

5 rings, 21 atoms.

73 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.

Pacitran suppliers

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Pacitran 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 Pacitran is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Pacitran?

Pacitran is a chemical substance with the molecular formula C24H33ClN2O5 and a molar mass of 464.99 g/mol. Its CAS registry number is 14457-27-3. The IUPAC name is methyl (1R,15S,17R,18R,19S,20S)-6,17,18-trimethoxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate, hydrochloride.

What is the CAS number of Pacitran?

The CAS registry number of Pacitran is 14457-27-3. Other or deprecated CAS numbers: 1178-29-6.

What is the molecular formula and weight of Pacitran?

The molecular formula of Pacitran is C24H33ClN2O5 and its molar mass is 464.99 g/mol.

What is Pacitran used for?

Known uses and roles of Pacitran include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Pacitran hazardous?

No GHS hazard classification for Pacitran 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 Pacitran?

Pacitran is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Pacitran?

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What is the price of Pacitran?

Suppliers quote Pacitran 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 Pacitran

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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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