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Heterocyclic building blocks

(+)-Pentazocine

Also known as d-Pentazocine, (+)-cis-Pentazocine, Pentazocine, D-

CAS 7361-76-4Formula C19H27NOMolar mass 285.43 g/molEC 635-312-1
GHS signal word: Warning. Pictograms: Harmful or irritant Prohibited, not for trade
Why it is not for trade
(+)-Pentazocine chemical structure, C19H27NO, CAS 7361-76-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
7361-76-4
Formula
C19H27NO
Molar mass
285.43 g/mol
EC number
635-312-1
HS code
293399
Category
Heterocyclic building blocks

What is (+)-Pentazocine?

Plain description, key identifiers and synonyms

(+)-Pentazocine is a chemical substance with the molecular formula C19H27NO and a molar mass of 285.43 g/mol. Its CAS registry number is 7361-76-4. The IUPAC name is (1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
CAS number
7361-76-4Other or deprecated CAS: 359-83-1
EC number
635-312-1
Molecular formula
C19H27NO
UNII
A2G9VU2P2J
InChIKey
VOKSWYLNZZRQPF-CCKFTAQKSA-N
InChI
InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m1/s1
Canonical SMILES
CC(C)=CCN1CCC2(C)c3cc(O)ccc3CC1C2C
Isomeric SMILES
C[C@@H]1[C@@H]2CC3=C([C@]1(CCN2CC=C(C)C)C)C=C(C=C3)O

Synonyms

  • d-Pentazocine
  • (+)-cis-Pentazocine
  • Pentazocine, D-
  • Pentazocine, (+)-
  • (+)-alpha-Pentazocine
  • Pentazocine 2S,6S,11S-form
  • 2,6-Methano-3-benzazocin-8-ol, 1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methyl-2-buten-1-yl)-, (2S,6S,11S)-
  • (1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo(7.3.1.02,7)trideca-2(7),3,5-trien-4-ol
  • (1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
  • (2S,6S,11S)-6,11-dimethyl-3-(3-methylbut-2-en-1-yl)-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
  • (+)-pen-tazocine
  • (+)-Pentazocine, solid
  • (+)-[3H]-Pentazocine
  • [3H]-(+)-Pentazocine
  • (2R,6R,11R)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • (6R,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • PDSP2_001657
  • (-)-Pentazocine, >=98% (HPLC)
  • (+)-(6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • (1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-4-ol
  • (2R,6R,11S)-6,11-dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • (2S,3R,6S,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • (2S,6S,11S)-6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol
  • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-ethano-benzo[d]azocin-8-ol(+)-pentazocine
Show all 28 synonyms
  • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol ((+)-Pentazocine)
  • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol anion
  • 6,11-Dimethyl-3-(3-methyl-but-2-enyl)-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol((+)pentazocine)

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
285.43 g/molcalc.
Exact mass
285.2093 Dacalc.
LogP (octanol/water)
3.88calc.
Topological polar surface area
23.47 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
21calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.58calc.
Formal charge
0calc.
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, c1ccc2c(c1)CC1CC2CCN1

c1ccc2c(c1)CC1CC2CCN1

3 rings, 13 atoms, the (±)-Benzomorphan ring system.

161 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.
  • H312Harmful in contact with skin.
  • H332Harmful if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P317Get medical help.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • 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

(+)-Pentazocine suppliers

Trading restrictions apply to this substance

Narcotic drug

(+)-Pentazocine is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961, HS 2022 subheading 2933.33 (fentanyls and related analgesics)

Our policy on controlled substances

(+)-Pentazocine price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Narcotic drug

(+)-Pentazocine is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961, HS 2022 subheading 2933.33 (fentanyls and related analgesics)

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code (+)-Pentazocine 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 (+)-Pentazocine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is (+)-Pentazocine?

(+)-Pentazocine is a chemical substance with the molecular formula C19H27NO and a molar mass of 285.43 g/mol. Its CAS registry number is 7361-76-4. The IUPAC name is (1S,9S,13S)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

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

The CAS registry number of (+)-Pentazocine is 7361-76-4. Other or deprecated CAS numbers: 359-83-1.

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

The molecular formula of (+)-Pentazocine is C19H27NO and its molar mass is 285.43 g/mol.

What is (+)-Pentazocine used for?

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

Is (+)-Pentazocine hazardous?

(+)-Pentazocine carries the GHS signal word "Warning". Main hazards: harmful if swallowed, harmful in contact with skin, harmful if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of (+)-Pentazocine?

(+)-Pentazocine 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.

Can I buy (+)-Pentazocine on CompoundList?

No. (+)-Pentazocine is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

Practical guides that help when you source, ship or handle (+)-Pentazocine

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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