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Screening compounds

(+)-Serpentine

Also known as serpentine(1+), 16-(Methoxycarbonyl)-19alpha-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium

CAS 18786-24-8Formula C21H21N2O3+Molar mass 349.41 g/molEC 259-590-5
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(+)-Serpentine chemical structure, C21H21N2O3+, CAS 18786-24-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
18786-24-8
Formula
C21H21N2O3+
Molar mass
349.41 g/mol
EC number
259-590-5
HS code
293499
Category
Screening compounds

What is (+)-Serpentine?

Plain description, key identifiers and synonyms

Serpentine(1+) is an organic cation that is the conjugate acid of serpentine. It is the major species at pH 7.3. It is a conjugate acid of a serpentine.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (15R,16S,20S)-16-methyl-17-oxa-3-aza-13-azoniapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(13),2(10),4,6,8,11,18-heptaene-19-carboxylate
CAS number
18786-24-8 CAS number cross-checkedOther or deprecated CAS: 55322-91-3
EC number
259-590-5
Molecular formula
C21H21N2O3+
InChIKey
WYTGDNHDOZPMIW-VBNZEHGJSA-O
InChI
InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1/t12-,15-,16+/m0/s1
Canonical SMILES
COC(=O)C1=COC(C)C2C[n+]3ccc4c([nH]c5ccccc54)c3CC12
Isomeric SMILES
C[C@H]1[C@H]2C[N+]3=C(C[C@@H]2C(=CO1)C(=O)OC)C4=C(C=C3)C5=CC=CC=C5N4

Synonyms

  • serpentine(1+)
  • 16-(Methoxycarbonyl)-19alpha-methyl-3,4,5,6,16,17-hexadehydro-18-oxayohimban-4-ium

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
349.41 g/molcalc.
Exact mass
349.1547 Dacalc.
LogP (octanol/water)
2.87calc.
Topological polar surface area
55.2 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
1calc.
Heavy atoms
26calc.
Rings
5calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.33calc.
Formal charge
1calc.
Stereocentres
3calc.
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, C1=CC2Cc3c4[nH]c5ccccc5c4cc[n+]3CC2CO1

C1=CC2Cc3c4[nH]c5ccccc5c4cc[n+]3CC2CO1

5 rings, 21 atoms.

10 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.

(+)-Serpentine suppliers

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(+)-Serpentine 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 (+)-Serpentine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about (+)-Serpentine, based on the data on this page

What is (+)-Serpentine?

Serpentine(1+) is an organic cation that is the conjugate acid of serpentine. It is the major species at pH 7.3. It is a conjugate acid of a serpentine.

What is the CAS number of (+)-Serpentine?

The CAS registry number of (+)-Serpentine is 18786-24-8. Other or deprecated CAS numbers: 55322-91-3.

What is the molecular formula and weight of (+)-Serpentine?

The molecular formula of (+)-Serpentine is C21H21N2O3+ and its molar mass is 349.41 g/mol.

What is (+)-Serpentine used for?

Known uses and roles of (+)-Serpentine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is (+)-Serpentine hazardous?

No GHS hazard classification for (+)-Serpentine 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 (+)-Serpentine?

(+)-Serpentine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (+)-Serpentine?

Post a free request on CompoundList and suppliers of (+)-Serpentine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of (+)-Serpentine?

Suppliers quote (+)-Serpentine 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 (+)-Serpentine

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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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