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Heterocyclic building blocks

Perhydrohistrionicotoxin

Also known as H(12)-Htx, (2r,6r,7s,8s)-7-butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol, 7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol

CAS 40709-29-3Formula C19H37NOMolar mass 295.51 g/mol
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Perhydrohistrionicotoxin chemical structure, C19H37NO, CAS 40709-29-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
40709-29-3
Formula
C19H37NO
Molar mass
295.51 g/mol
HS code
293339
Category
Heterocyclic building blocks

What is Perhydrohistrionicotoxin?

Plain description, key identifiers and synonyms

Perhydrohistrionicotoxin is a chemical substance with the molecular formula C19H37NO and a molar mass of 295.51 g/mol. Its CAS registry number is 40709-29-3. The IUPAC name is (2R,6R,10S,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,6R,10S,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
CAS number
40709-29-3 CAS number cross-checked
Molecular formula
C19H37NO
InChIKey
BTKHRQIWTGOESJ-AKHDSKFASA-N
InChI
InChI=1S/C19H37NO/c1-3-5-7-10-16-11-8-14-19(20-16)15-9-13-18(21)17(19)12-6-4-2/h16-18,20-21H,3-15H2,1-2H3/t16-,17-,18+,19-/m1/s1
Canonical SMILES
CCCCCC1CCCC2(CCCC(O)C2CCCC)N1
Isomeric SMILES
CCCCC[C@@H]1CCC[C@@]2(N1)CCC[C@@H]([C@H]2CCCC)O

Synonyms

  • H(12)-Htx
  • (2r,6r,7s,8s)-7-butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol
  • 7-Butyl-2-pentyl-1-azaspiro[5.5]undecan-8-ol
  • (2R,6R,10S,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol
  • 1-Azaspiro(5.5)undecan-8-ol, 7-butyl-2-pentyl-, (2R,6R,7S,8S)-
  • 1-Azaspiro(5.5)undecan-8-ol, 7-butyl-2-pentyl-, (6R-(6alpha(R*),7beta,8alpha))-

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
295.51 g/molcalc.
Exact mass
295.2875 Dacalc.
LogP (octanol/water)
4.8calc.
Topological polar surface area
32.26 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
7calc.
Heavy atoms
21calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
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, C1CCC2(CC1)CCCCN2

C1CCC2(CC1)CCCCN2

2 rings, 11 atoms, the 1-Azaspiro[5.5]undecane ring system.

58 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.

Perhydrohistrionicotoxin suppliers

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Perhydrohistrionicotoxin 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

Pharmacological actions

  • Parasympatholytics

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 Perhydrohistrionicotoxin is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Perhydrohistrionicotoxin?

Perhydrohistrionicotoxin is a chemical substance with the molecular formula C19H37NO and a molar mass of 295.51 g/mol. Its CAS registry number is 40709-29-3. The IUPAC name is (2R,6R,10S,11S)-11-butyl-2-pentyl-1-azaspiro[5.5]undecan-10-ol.

What is the CAS number of Perhydrohistrionicotoxin?

The CAS registry number of Perhydrohistrionicotoxin is 40709-29-3.

What is the molecular formula and weight of Perhydrohistrionicotoxin?

The molecular formula of Perhydrohistrionicotoxin is C19H37NO and its molar mass is 295.51 g/mol.

What is Perhydrohistrionicotoxin used for?

Known uses and roles of Perhydrohistrionicotoxin include building blocks in research and laboratory, screening compounds in research and laboratory and parasympatholytics.

Is Perhydrohistrionicotoxin hazardous?

No GHS hazard classification for Perhydrohistrionicotoxin 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 Perhydrohistrionicotoxin?

Perhydrohistrionicotoxin is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Perhydrohistrionicotoxin?

Post a free request on CompoundList and suppliers of Perhydrohistrionicotoxin will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Perhydrohistrionicotoxin?

Suppliers quote Perhydrohistrionicotoxin 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 Perhydrohistrionicotoxin

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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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