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Impurities and reference standards

Isoreserpine

Also known as 3-Epireserpine, 3-Isoreserpine, (-)-Isoreserpine

CAS 482-85-9Formula C33H40N2O9Molar mass 608.69 g/mol
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Isoreserpine chemical structure, C33H40N2O9, CAS 482-85-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
482-85-9
Formula
C33H40N2O9
Molar mass
608.69 g/mol
HS code
293399
Category
Impurities and reference standards

What is Isoreserpine?

Plain description, key identifiers and synonyms

(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester is a yohimban alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
CAS number
482-85-9 CAS number cross-checked
Molecular formula
C33H40N2O9
InChIKey
QEVHRUUCFGRFIF-VPHNHGCZSA-N
InChI
InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24+,27-,28+,31+/m1/s1
Canonical SMILES
COC(=O)C1C2CC3c4[nH]c5cc(OC)ccc5c4CCN3CC2CC(OC(=O)c2cc(OC)c(OC)c(OC)c2)C1OC
Isomeric SMILES
CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

Synonyms

  • 3-Epireserpine
  • 3-Isoreserpine
  • (-)-Isoreserpine
  • methyl (1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
  • 20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester) (8CI)
  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (16beta,17alpha,18beta,20alpha)-
  • 20alpha-Yohimban-16beta-carboxylic acid, 18beta-hydroxy-11,17alpha-dimethoxy-, methyl ester, 3,4,5-trimethoxybenzoate (ester)
  • Yohimban-16-carboxylic acid, 11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (16beta,17alpha,18beta,20alpha)-(9CI)
  • Reserpine Impurity 7
  • methyl dimethoxy-(3,4,5-trimethoxybenzoyl)oxy-[?]carboxylate
  • DivK1c_000200
  • Methyl 11,17alpha-dimethoxy-18beta-[(3,4,5-trimethoxybenzoyl)oxy]-20alpha-yohimban-16beta-carboxylate

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
608.69 g/molcalc.
Exact mass
608.2734 Dacalc.
LogP (octanol/water)
4.17calc.
Topological polar surface area
117.8 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
44calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.52calc.
Formal charge
0calc.
Stereocentres
6calc.
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, O=C(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)c1ccccc1

O=C(OC1CCC2CC3c4[nH]c5ccccc5c4CCN3CC2C1)c1ccccc1

6 rings, 30 atoms.

52 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.

Isoreserpine suppliers

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Where suppliers are based

1 supplier in 1 country

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

Frequently asked questions

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

What is Isoreserpine?

(1S,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-[oxo-(3,4,5-trimethoxyphenyl)methoxy]-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylic acid methyl ester is a yohimban alkaloid.

What is the CAS number of Isoreserpine?

The CAS registry number of Isoreserpine is 482-85-9.

What is the molecular formula and weight of Isoreserpine?

The molecular formula of Isoreserpine is C33H40N2O9 and its molar mass is 608.69 g/mol.

Is Isoreserpine hazardous?

No GHS hazard classification for Isoreserpine 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 Isoreserpine?

Isoreserpine 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 Isoreserpine?

CompoundList lists 1 supplier of Isoreserpine in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Isoreserpine?

Suppliers quote Isoreserpine 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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