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Screening compounds

Bntx

Also known as (4R,4aS,6E,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, 7(E)-Benzylidenenaltrexone, (E)-7-Benzylidenenaltrexone

CAS 153611-34-8Formula C27H27NO4Molar mass 429.52 g/mol
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Bntx chemical structure, C27H27NO4, CAS 153611-34-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
153611-34-8
Formula
C27H27NO4
Molar mass
429.52 g/mol
HS code
293499
Category
Screening compounds

What is Bntx?

Plain description, key identifiers and synonyms

7-Benzylidenenaltrexone is a member of phenanthrenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aS,6E,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CAS number
153611-34-8
Molecular formula
C27H27NO4
InChIKey
WXOUFNFMPVMGFZ-BDQAUFNLSA-N
InChI
InChI=1S/C27H27NO4/c29-20-9-8-18-13-21-27(31)14-19(12-16-4-2-1-3-5-16)23(30)25-26(27,22(18)24(20)32-25)10-11-28(21)15-17-6-7-17/h1-5,8-9,12,17,21,25,29,31H,6-7,10-11,13-15H2/b19-12+/t21-,25+,26+,27-/m1/s1
Canonical SMILES
O=C1C(=Cc2ccccc2)CC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5
Isomeric SMILES
C1CC1CN2CC[C@]34[C@@H]5C(=O)/C(=C/C6=CC=CC=C6)/C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O

Synonyms

  • (4R,4aS,6E,7aR,12bS)-6-benzylidene-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
  • 7(E)-Benzylidenenaltrexone
  • (E)-7-Benzylidenenaltrexone
  • 7-Benzylidine-7-dehydronaltrexone
  • PDSP2_001550
  • Sdccgsbi-0633734.p001
  • morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)-, (5alpha,7E)-
  • Morphinan-6-one, 17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxy-7-(phenylmethylene)-, (5alpha,7E)- (9CI)

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
429.52 g/molcalc.
Exact mass
429.194 Dacalc.
LogP (octanol/water)
3.22calc.
Topological polar surface area
70 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
32calc.
Rings
7calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.44calc.
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=C1C(=Cc2ccccc2)CC2C3Cc4cccc5c4C2(CCN3CC2CC2)C1O5

O=C1C(=Cc2ccccc2)CC2C3Cc4cccc5c4C2(CCN3CC2CC2)C1O5

7 rings, 30 atoms.

2 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.

Bntx suppliers

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

Frequently asked questions

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

What is Bntx?

7-Benzylidenenaltrexone is a member of phenanthrenes.

What is the CAS number of Bntx?

The CAS registry number of Bntx is 153611-34-8.

What is the molecular formula and weight of Bntx?

The molecular formula of Bntx is C27H27NO4 and its molar mass is 429.52 g/mol.

What is Bntx used for?

Known uses and roles of Bntx include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Bntx hazardous?

No GHS hazard classification for Bntx 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 Bntx?

Bntx 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 Bntx?

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

What is the price of Bntx?

Suppliers quote Bntx 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 Bntx

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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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