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Impurities and reference standards

Npc117351

Also known as scopalamine, (-)-Scopolamine, scopolamine

CAS 138-12-5Formula C17H21NO4Molar mass 303.36 g/mol
1 supplier listed
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Npc117351 chemical structure, C17H21NO4, CAS 138-12-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
138-12-5
Formula
C17H21NO4
Molar mass
303.36 g/mol
HS code
293979
Category
Impurities and reference standards

What is Npc117351?

Plain description, key identifiers and synonyms

Npc117351 is a chemical substance with the molecular formula C17H21NO4 and a molar mass of 303.36 g/mol. Its CAS registry number is 138-12-5. The IUPAC name is [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
CAS number
138-12-5 CAS number cross-checkedOther or deprecated CAS: 51-34-3
Molecular formula
C17H21NO4
InChIKey
STECJAGHUSJQJN-QBMZJCKTSA-N
InChI
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12?,13-,14+,15-,16+
Canonical SMILES
CN1C2CC(OC(=O)C(CO)c3ccccc3)CC1C1OC12
Isomeric SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(CO)C4=CC=CC=C4

Synonyms

  • scopalamine
  • (-)-Scopolamine
  • scopolamine
  • Atroscine
  • [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate
  • Benzeneacetic acid, alpha-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(2,4))non-7-yl ester, (1alpha,2beta,4beta,5alpha,7beta)-(+-)-
  • (+/-)-Scopolamine
  • Scopolaminhydrobromid
  • Atropine Impurity N5
  • (1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-7-yl 3-hydroxy-2-phenylpropanoate
  • (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl 3-hydroxy-2-phenylpropanoate

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
303.36 g/molcalc.
Exact mass
303.1471 Dacalc.
LogP (octanol/water)
0.92calc.
Topological polar surface area
62.3 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
6calc.
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)OC1CC2NC(C1)C1OC21

O=C(Cc1ccccc1)OC1CC2NC(C1)C1OC21

4 rings, 19 atoms.

88 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.

Npc117351 suppliers

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  • ChemFaces
    China, WuhanUnclaimed profile
    Npc117351Grade, purity and minimum order on request
    Price on request
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Where suppliers are based

1 supplier in 1 country

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Npc117351 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 Npc117351 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 Npc117351 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Npc117351, based on the data on this page

What is Npc117351?

Npc117351 is a chemical substance with the molecular formula C17H21NO4 and a molar mass of 303.36 g/mol. Its CAS registry number is 138-12-5. The IUPAC name is [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 3-hydroxy-2-phenylpropanoate.

What is the CAS number of Npc117351?

The CAS registry number of Npc117351 is 138-12-5. Other or deprecated CAS numbers: 51-34-3.

What is the molecular formula and weight of Npc117351?

The molecular formula of Npc117351 is C17H21NO4 and its molar mass is 303.36 g/mol.

Is Npc117351 hazardous?

No GHS hazard classification for Npc117351 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 Npc117351?

Npc117351 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 Npc117351?

CompoundList lists 1 supplier of Npc117351 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 Npc117351?

Suppliers quote Npc117351 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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