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Alkaloids

Npc13206

Also known as Homatropine, DL-Homatropine, Homatropin

CAS 87-00-3Formula C16H21NO3Molar mass 275.35 g/molEC 201-716-8
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Npc13206 chemical structure, C16H21NO3, CAS 87-00-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
87-00-3
Formula
C16H21NO3
Molar mass
275.35 g/mol
EC number
201-716-8
HS code
293979
Category
Alkaloids

What is Npc13206?

Plain description, key identifiers and synonyms

Homatropine is a monocarboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate
CAS number
87-00-3 CAS number cross-checkedOther or deprecated CAS: 16175-57-8
EC number
201-716-8
Molecular formula
C16H21NO3
UNII
8QS6WCL55Z
InChIKey
ZTVIKZXZYLEVOL-DGKWVBSXSA-N
InChI
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14?,15?
Canonical SMILES
CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2
Isomeric SMILES
CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(C3=CC=CC=C3)O

Synonyms

  • Homatropine
  • DL-Homatropine
  • Homatropin
  • Homoatropine
  • Mandelyltropeine
  • Homotropine
  • Mandelytropeine
  • (1R,3r,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-2-phenylacetate
  • 1aH,3aH-Tropan-3a-ol mandelate (ester) hydrobromide
  • Mandelic acid, 3d-tropanyl ester
  • Omatropina
  • Methylhomatropinum
  • [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate
  • 3alpha-Tropylmandelat
  • Tropinmandelsaeureester
  • DL-Mandelsaeure-tropylester
  • Tropine, mandelate (ester)
  • s ethyl
  • (+-)-Homatropine
  • (RS)-3alpha(1alphaH,5alphaH)-Tropanylmandelat
  • 5-21-01-00234 (Beilstein Handbook Reference)
  • ACon1_000253
  • Homatropine hydrobromide impurity a
  • 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester)
  • Homatropine methylbromide impurity b
Show all 26 synonyms
  • (1R,3r,5S)-8-Methyl-8-azabicyclo[3.2.1]octan-3-yl hydroxy(phenyl)acetate

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
275.35 g/molcalc.
Exact mass
275.1521 Dacalc.
LogP (octanol/water)
1.89calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
4calc.
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

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.

Npc13206 suppliers

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

All 2 suppliers
  • Sakhiya Pharma Chem
    India, Surat ManufacturerUnclaimed profile
    HomatropineGrade, purity and minimum order on request
    Price on request
    View
  • ChemFaces
    China, WuhanUnclaimed profile
    Npc13206Grade, purity and minimum order on request
    Price on request
    View

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

2 suppliers in 2 countries

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Npc13206 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

Use classes: Pharmaceuticals.

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 Npc13206 is traded under.

HS 2939.79Indicative HS code

Alkaloids of vegetal origin, other than cocaine, ecgonine, salts, esters and other derivatives, not elsewhere…

World exports in 2024
$701M
+18.9% vs 2023, imports $830M
2019 to 2024
Top exporters
  1. Switzerland * partner reported25.3%
  2. Germany21.4%
  3. India * partner reported14.9%
Top importers
  1. United States20.9%
  2. Germany14.7%
  3. Italy14.6%

* Partner reported figures, a lower bound.

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

The HS code shown for Npc13206 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc13206, based on the data on this page

What is Npc13206?

Homatropine is a monocarboxylic acid.

What is the CAS number of Npc13206?

The CAS registry number of Npc13206 is 87-00-3. Other or deprecated CAS numbers: 16175-57-8.

What is the molecular formula and weight of Npc13206?

The molecular formula of Npc13206 is C16H21NO3 and its molar mass is 275.35 g/mol.

What is Npc13206 used for?

Use classes: Pharmaceuticals.

Is Npc13206 hazardous?

No GHS hazard classification for Npc13206 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 Npc13206?

Npc13206 is usually classified under HS code 293979 (Alkaloids, natural or reproduced by synthesis, and their salts, ethers, esters and other…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Npc13206?

CompoundList lists 2 suppliers of Npc13206 in China and India. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Npc13206 in India?

1 supplier in India list Npc13206 on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Npc13206?

Suppliers quote Npc13206 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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