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Screening compounds

Blacknidine

Also known as (1S,2R,3R,4S,5S,6S,8R,9R,10S,13R,16S,17R)-11-ethyl-6,8-dimethoxy-13-methyl-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,9,16-triol

CAS 164176-13-0Formula C23H37NO5Molar mass 407.55 g/mol
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Blacknidine chemical structure, C23H37NO5, CAS 164176-13-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
164176-13-0
Formula
C23H37NO5
Molar mass
407.55 g/mol
HS code
293399
Category
Screening compounds

What is Blacknidine?

Plain description, key identifiers and synonyms

Blacknidine has been reported in Delphinium brunonianum and Delphinium elatum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2R,3R,4S,5S,6S,8R,9R,10S,13R,16S,17R)-11-ethyl-6,8-dimethoxy-13-methyl-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,9,16-triol
CAS number
164176-13-0
Molecular formula
C23H37NO5
InChIKey
MRAUUHCURXZDPX-KJJIZPFLSA-N
InChI
InChI=1S/C23H37NO5/c1-5-24-11-20(2)7-6-16(25)23-13-8-12-14(28-3)9-22(29-4,17(13)18(12)26)21(27,19(23)24)10-15(20)23/h12-19,25-27H,5-11H2,1-4H3/t12-,13-,14+,15-,16+,17-,18+,19-,20+,21-,22-,23-/m1/s1
Canonical SMILES
CCN1CC2(C)CCC(O)C34C5CC6C(OC)CC(OC)(C5C6O)C(O)(CC23)C14
Isomeric SMILES
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)OC)O)O)C

Synonyms

  • (1S,2R,3R,4S,5S,6S,8R,9R,10S,13R,16S,17R)-11-ethyl-6,8-dimethoxy-13-methyl-11-azahexacyclo(7.7.2.12,5.01,10.03,8.013,17)nonadecane-4,9,16-triol

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
407.55 g/molcalc.
Exact mass
407.2672 Dacalc.
LogP (octanol/water)
1.02calc.
Topological polar surface area
82.39 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
3calc.
Heavy atoms
29calc.
Rings
6calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
12calc.
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, C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

C1CC2CNC3C4CC2C3(C1)C1CC2CCC4C1C2

6 rings, 19 atoms.

124 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.

Blacknidine suppliers

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

Frequently asked questions

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

What is Blacknidine?

Blacknidine has been reported in Delphinium brunonianum and Delphinium elatum.

What is the CAS number of Blacknidine?

The CAS registry number of Blacknidine is 164176-13-0.

What is the molecular formula and weight of Blacknidine?

The molecular formula of Blacknidine is C23H37NO5 and its molar mass is 407.55 g/mol.

What is Blacknidine used for?

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

Is Blacknidine hazardous?

No GHS hazard classification for Blacknidine 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 Blacknidine?

Blacknidine 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.

Where can I buy Blacknidine?

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

What is the price of Blacknidine?

Suppliers quote Blacknidine 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 Blacknidine

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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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