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Screening compounds

Beiwutine

Also known as 10-Hydroxymesaconitine, 10-Hydroxy mesaconitine

CAS 76918-93-9Formula C33H45NO12Molar mass 647.72 g/mol
1 supplier listed
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Beiwutine chemical structure, C33H45NO12, CAS 76918-93-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
76918-93-9
Formula
C33H45NO12
Molar mass
647.72 g/mol
HS code
293399
Category
Screening compounds

What is Beiwutine?

Plain description, key identifiers and synonyms

Beiwutine is a benzoate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2S,3S,4R,5R,6S,7S,8S,9R,13R,14R,16S,17R,18R)-8-acetyloxy-2,5,7,14-tetrahydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] benzoate
CAS number
76918-93-9 CAS number cross-checked
Molecular formula
C33H45NO12
InChIKey
GPTAWZLFSGYZGC-JDMPSTDXSA-N
InChI
InChI=1S/C33H45NO12/c1-16(35)46-33-20-21(43-5)22-29(15-41-3)14-34(2)24(20)32(22,19(42-4)12-18(29)36)31(40)13-30(39,27(44-6)25(33)37)26(23(31)33)45-28(38)17-10-8-7-9-11-17/h7-11,18-27,36-37,39-40H,12-15H2,1-6H3/t18-,19+,20+,21+,22-,23+,24?,25+,26-,27+,29+,30-,31+,32-,33+/m1/s1
Canonical SMILES
COCC12CN(C)C3C4C(OC)C1C3(C(OC)CC2O)C1(O)CC2(O)C(OC)C(O)C4(OC(C)=O)C1C2OC(=O)c1ccccc1
Isomeric SMILES
CC(=O)O[C@@]12[C@H]3[C@@H]([C@@H]4[C@@]5(CN(C3[C@]4([C@H](C[C@H]5O)OC)[C@]6([C@@H]1[C@H]([C@](C6)([C@H]([C@@H]2O)OC)O)OC(=O)C7=CC=CC=C7)O)C)COC)OC

Synonyms

  • 10-Hydroxymesaconitine
  • 10-Hydroxy mesaconitine

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
647.72 g/molcalc.
Exact mass
647.2942 Dacalc.
LogP (octanol/water)
-0.63calc.
Topological polar surface area
173.7 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
13calc.
Rotatable bonds
8calc.
Heavy atoms
46calc.
Rings
7calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.76calc.
Formal charge
0calc.
Stereocentres
15calc.
Lipinski rule of five
Fails (2 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=C(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

O=C(OC1C2CCC3C4CC5C6CCCC5(C(C2)C31)C4NC6)c1ccccc1

7 rings, 28 atoms.

175 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.

Beiwutine suppliers

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Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

1 supplier in 1 country

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Beiwutine price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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

Frequently asked questions

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

What is Beiwutine?

Beiwutine is a benzoate ester.

What is the CAS number of Beiwutine?

The CAS registry number of Beiwutine is 76918-93-9.

What is the molecular formula and weight of Beiwutine?

The molecular formula of Beiwutine is C33H45NO12 and its molar mass is 647.72 g/mol.

What is Beiwutine used for?

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

Is Beiwutine hazardous?

No GHS hazard classification for Beiwutine 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 Beiwutine?

Beiwutine 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 Beiwutine?

CompoundList lists 1 supplier of Beiwutine 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 Beiwutine?

Suppliers quote Beiwutine 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 Beiwutine

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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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