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Heterocyclic building blocks

Bromoreserpine

Also known as Yohimban-16-carboxylic acid, bromo-11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-, bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate, 16-[(Bromooxy)carbonyl]-11,17-dimethoxy-1-methylyohimban-18-yl 3,4,5-trimethoxybenzoate

CAS 84057-91-0Formula C33H39BrN2O9Molar mass 687.58 g/mol
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Bromoreserpine chemical structure, C33H39BrN2O9, CAS 84057-91-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
84057-91-0
Formula
C33H39BrN2O9
Molar mass
687.58 g/mol
HS code
293399
Category
Heterocyclic building blocks

What is Bromoreserpine?

Plain description, key identifiers and synonyms

Bromoreserpine is a chemical substance with the molecular formula C33H39BrN2O9 and a molar mass of 687.58 g/mol. Its CAS registry number is 84057-91-0. The IUPAC name is bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
CAS number
84057-91-0 CAS number cross-checked
Molecular formula
C33H39BrN2O9
InChIKey
HETZMPQLMVFFBX-MDEJGZGSSA-N
InChI
InChI=1S/C33H39BrN2O9/c1-35-23-14-19(39-2)7-8-20(23)21-9-10-36-16-18-13-27(31(43-6)28(33(38)45-34)22(18)15-24(36)29(21)35)44-32(37)17-11-25(40-3)30(42-5)26(12-17)41-4/h7-8,11-12,14,18,22,24,27-28,31H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
Canonical SMILES
COc1ccc2c3c(n(C)c2c1)C1CC2C(CC(OC(=O)c4cc(OC)c(OC)c(OC)c4)C(OC)C2C(=O)OBr)CN1CC3
Isomeric SMILES
CN1C2=C(C=CC(=C2)OC)C3=C1[C@H]4C[C@H]5[C@H](C[C@H]([C@@H]([C@H]5C(=O)OBr)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC)CN4CC3

Synonyms

  • Yohimban-16-carboxylic acid, bromo-11,17-dimethoxy-18-((3,4,5-trimethoxybenzoyl)oxy)-, methyl ester, (3beta,16beta,17alpha,18beta,20alpha)-
  • bromo (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-3-methyl-17-(3,4,5-trimethoxybenzoyl)oxy-11,12,14,15,16,17,18,19,20,21-decahydro-1H-yohimban-19-carboxylate
  • 16-[(Bromooxy)carbonyl]-11,17-dimethoxy-1-methylyohimban-18-yl 3,4,5-trimethoxybenzoate
  • 16beta-[(Bromooxy)carbonyl]-11,17alpha-dimethoxy-1-methyl-3beta,20alpha-yohimban-18beta-yl 3,4,5-trimethoxybenzoate

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
687.58 g/molcalc.
Exact mass
686.1839 Dacalc.
LogP (octanol/water)
4.86calc.
Topological polar surface area
106.9 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
8calc.
Heavy atoms
45calc.
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.

Bromoreserpine suppliers

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

Frequently asked questions

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

What is Bromoreserpine?

Bromoreserpine is a chemical substance with the molecular formula C33H39BrN2O9 and a molar mass of 687.58 g/mol. Its CAS registry number is 84057-91-0.

What is the CAS number of Bromoreserpine?

The CAS registry number of Bromoreserpine is 84057-91-0.

What is the molecular formula and weight of Bromoreserpine?

The molecular formula of Bromoreserpine is C33H39BrN2O9 and its molar mass is 687.58 g/mol.

What is Bromoreserpine used for?

Known uses and roles of Bromoreserpine include building blocks in research and laboratory.

Is Bromoreserpine hazardous?

No GHS hazard classification for Bromoreserpine 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 Bromoreserpine?

Bromoreserpine 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 Bromoreserpine?

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

What is the price of Bromoreserpine?

Suppliers quote Bromoreserpine 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 Bromoreserpine

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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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