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Screening compounds

Anisodamine

Also known as Hyoscyamine, 6-hydroxy-, [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate, (1R,3S,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate

CAS 55869-99-3Formula C17H23NO4Molar mass 305.37 g/molEC 637-239-0
GHS signal word: Warning. Pictograms: Harmful or irritant 8 suppliers listed
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Anisodamine chemical structure, C17H23NO4, CAS 55869-99-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
55869-99-3
Formula
C17H23NO4
Molar mass
305.37 g/mol
EC number
637-239-0
HS code
293399
Category
Screening compounds

What is Anisodamine?

Plain description, key identifiers and synonyms

6-Hydroxyhyoscyamine has been reported in Agrobacterium rhizogenes, Duboisia myoporoides, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
CAS number
55869-99-3 CAS number cross-checkedOther or deprecated CAS: 85760-60-7
EC numbers
637-239-0, 695-410-5
Molecular formula
C17H23NO4
UNII
01343Q8EL8, U5AC4ZPQ36
InChIKey
WTQYWNWRJNXDEG-RBZJEDDUSA-N
InChI
InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1
Canonical SMILES
CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C(O)C2
Isomeric SMILES
CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)C3=CC=CC=C3

Synonyms

  • Hyoscyamine, 6-hydroxy-
  • [(1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2S)-3-hydroxy-2-phenylpropanoate
  • (1R,3S,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
  • alpha-(Hydroxymethyl)benzeneacetic acid 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-
  • ((1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) (2S)-3-hydroxy-2-phenylpropanoate
  • (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
  • (-)-6beta-hydroxyhyoscyamine
  • Anisodamine, (+/-)-
  • Raceanisodamine
  • 6beta-Hydroxyhyoscyamine
  • (-)-Anisodamine
  • 6-Hydroxy hyoscyamine
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (alphaS)-rel-
  • D-anisodamine
  • L-anisodamine
  • OVR
  • (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (S)-3-hydroxy-2-phenylpropanoate
  • (S)-(1R,3S,5R,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (.alpha.s)-
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (.alpha.s)-rel-
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, 6-hydroxy-8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (1R-(1-alpha,3-beta(S*),5-alpha,6-alpha))-

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
305.37 g/molcalc.
Exact mass
305.1627 Dacalc.
LogP (octanol/water)
0.9calc.
Topological polar surface area
70 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
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, O=C(Cc1ccccc1)OC1CC2CCC(C1)N2

O=C(Cc1ccccc1)OC1CC2CCC(C1)N2

3 rings, 18 atoms.

234 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H319Causes serious eye irritation.
Precautionary statements (9)
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Anisodamine suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 8 suppliers
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Where suppliers are based

8 suppliers in 3 countries

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Anisodamine price

Indicative price range per kg from live supplier offers

No published prices right now

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Adrenergic alpha-Agonists
  • Anti-Arrhythmia Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Anti-Ulcer Agents
  • Free Radical Scavengers
  • Parasympatholytics
  • Vasodilator Agents

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

Frequently asked questions

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

What is Anisodamine?

6-Hydroxyhyoscyamine has been reported in Agrobacterium rhizogenes, Duboisia myoporoides, and other organisms.

What is the CAS number of Anisodamine?

The CAS registry number of Anisodamine is 55869-99-3. Other or deprecated CAS numbers: 85760-60-7.

What is the molecular formula and weight of Anisodamine?

The molecular formula of Anisodamine is C17H23NO4 and its molar mass is 305.37 g/mol.

What is Anisodamine used for?

Known uses and roles of Anisodamine include building blocks in research and laboratory, screening compounds in research and laboratory, adrenergic alpha-agonists, anti-arrhythmia agents, anti-inflammatory agents, non-steroidal and 4 more.

Is Anisodamine hazardous?

Anisodamine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Anisodamine?

Anisodamine 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 Anisodamine?

CompoundList lists 8 suppliers of Anisodamine in United States, China and Czech Republic. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Anisodamine?

Suppliers quote Anisodamine 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 Anisodamine

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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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