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Screening compounds

Buphanitine

Also known as Hemanthine, Nerbowdin, Nerbowdine

CAS 4673-18-1Formula C17H21NO5Molar mass 319.36 g/mol
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Buphanitine chemical structure, C17H21NO5, CAS 4673-18-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4673-18-1
Formula
C17H21NO5
Molar mass
319.36 g/mol
HS code
293499
Category
Screening compounds

What is Buphanitine?

Plain description, key identifiers and synonyms

Buphanitine is a chemical substance with the molecular formula C17H21NO5 and a molar mass of 319.36 g/mol. Its CAS registry number is 4673-18-1. The IUPAC name is (1S,13R,15R,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-15,17-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,13R,15R,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-15,17-diol
CAS number
4673-18-1 CAS number cross-checked
Molecular formula
C17H21NO5
UNII
XSJ47I6XY2
InChIKey
KCNHESDRNJNLEV-PGCOIXJOSA-N
InChI
InChI=1S/C17H21NO5/c1-21-15-10-7-18-3-2-17(13(18)4-9(19)5-14(17)20)11(10)6-12-16(15)23-8-22-12/h6,9,13-14,19-20H,2-5,7-8H2,1H3/t9-,13-,14-,17+/m1/s1
Canonical SMILES
COc1c2c(cc3c1OCO3)C13CCN(C2)C1CC(O)CC3O
Isomeric SMILES
COC1=C2CN3CC[C@@]4([C@H]3C[C@H](C[C@H]4O)O)C2=CC5=C1OCO5

Synonyms

  • Hemanthine
  • Nerbowdin
  • Nerbowdine
  • 7-Methoxycrinan-1alpha,3alpha-diol
  • 1H,6H-5,11b-Ethano(1,3)dioxolo(4,5-j)phenanthridine-1,3-diol, 2,3,4,4a-tetrahydro-7-methoxy-, (1R,3R,4aR,5S,11bS)-
  • 1H,6H-5,11b-Ethano(1,3)dioxolo(4,5-j)phenanthridine-1,3-diol, 2,3,4,4a-tetrahydro-7-methoxy-, (1R-(1alpha,3alpha,4aalpha,5beta,11bbeta))-
  • 1H,6H-5,11b-Ethano(1,3)dioxolo(4,5-j)phenanthridine-1,3-diol, 2,3,4,4a-tetrahydro-7-methoxy-, (1r-(1alpha,3alpha,4a.alpha.,5beta,11b.beta.))-
  • Crinan-1alpha,3alpha-diol, 7-methoxy-
  • Crinan-1,3-diol, 7-methoxy-, (1alpha,3alpha)-
  • 7-Methoxycrinan-1,3-diol, (1alpha,3alpha)-
  • Crinan-1alpha, 7-methoxy-
  • Nerborudin b678018k242
  • (5xi)-7-Methoxycrinan-1alpha,3alpha-diol
  • Crinan-1, 7-methoxy-, (1alpha,3alpha)-
  • Crinan-1, 9-methoxy-, (1alpha,3alpha)-

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
319.36 g/molcalc.
Exact mass
319.142 Dacalc.
LogP (octanol/water)
0.77calc.
Topological polar surface area
71.39 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
23calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
5calc.
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, c1c2c(cc3c1OCO3)C13CCCCC1N(CC3)C2

c1c2c(cc3c1OCO3)C13CCCCC1N(CC3)C2

5 rings, 19 atoms.

7 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.

Buphanitine suppliers

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

Frequently asked questions

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

What is Buphanitine?

Buphanitine is a chemical substance with the molecular formula C17H21NO5 and a molar mass of 319.36 g/mol. Its CAS registry number is 4673-18-1. The IUPAC name is (1S,13R,15R,17R)-9-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9-triene-15,17-diol.

What is the CAS number of Buphanitine?

The CAS registry number of Buphanitine is 4673-18-1.

What is the molecular formula and weight of Buphanitine?

The molecular formula of Buphanitine is C17H21NO5 and its molar mass is 319.36 g/mol.

What is Buphanitine used for?

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

Is Buphanitine hazardous?

No GHS hazard classification for Buphanitine 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 Buphanitine?

Buphanitine 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 Buphanitine?

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

What is the price of Buphanitine?

Suppliers quote Buphanitine 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

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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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