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Acid, base and phase-transfer catalysts

Diaropect

Also known as 8-Azoniabicyclo(3.2.1)octane, 3-((hydroxyphenylacetyl)oxy)-8,8-dimethyl-, bromide, (3-endo)-, mixt. with neomycin sulfate (salt), 8-Azoniabicyclo(3.2.1)octane, 3-((hydroxyphenylacetyl)oxy)-8,8-dimethyl-, bromide, endo-(+-)-, mixt. with neomycin sulfate (salt)

CAS 52503-65-8Formula C47H82BrN11O22S2Molar mass 1,297.27 g/mol
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Diaropect chemical structure, C47H82BrN11O22S2, CAS 52503-65-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
52503-65-8
Formula
C47H82BrN11O22S2
Molar mass
1,297.27 g/mol
HS code
293219
Category
Acid, base and phase-transfer catalysts

What is Diaropect?

Plain description, key identifiers and synonyms

Diaropect is a chemical substance with the molecular formula C47H82BrN11O22S2 and a molar mass of 1,297.27 g/mol. Its CAS registry number is 52503-65-8. The IUPAC name is (2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol, 2-(4-aminophenyl)sulfonylguanidine, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate, sulfuric acid, bromide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(2R,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-4-[(2R,3R,4R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol, 2-(4-aminophenyl)sulfonylguanidine, (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate, sulfuric acid, bromide
CAS number
52503-65-8
Molecular formula
C47H82BrN11O22S2
InChIKey
JIZPTGZUUDIGNM-COUWZCAMSA-M
InChI
InChI=1S/C23H46N6O13.C17H24NO3.C7H10N4O2S.BrH.H2O4S/c24-2-7-13(32)15(34)10(28)21(37-7)40-18-6(27)1-5(26)12(31)20(18)42-23-17(36)19(9(4-30)39-23)41-22-11(29)16(35)14(33)8(3-25)38-22;1-18(2)13-8-9-14(18)11-15(10-13)21-17(20)16(19)12-6-4-3-5-7-12;8-5-1-3-6(4-2-5)14(12,13)11-7(9)10;;1-5(2,3)4/h5-23,30-36H,1-4,24-29H2;3-7,13-16,19H,8-11H2,1-2H3;1-4H,8H2,(H4,9,10,11);1H;(H2,1,2,3,4)/q;+1;;;/p-1/t5-,6+,7-,8+,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;;;;/m1..../s1
Canonical SMILES
C[N+]1(C)C2CCC1CC(OC(=O)C(O)c1ccccc1)C2.NC(N)=NS(=O)(=O)c1ccc(N)cc1.NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O.O=S(=O)(O)O.[Br-]
Isomeric SMILES
C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CN)O)O)N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)N)O)O)N.C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N.OS(=O)(=O)O.[Br-]

Synonyms

  • 8-Azoniabicyclo(3.2.1)octane, 3-((hydroxyphenylacetyl)oxy)-8,8-dimethyl-, bromide, (3-endo)-, mixt. with neomycin sulfate (salt)
  • 8-Azoniabicyclo(3.2.1)octane, 3-((hydroxyphenylacetyl)oxy)-8,8-dimethyl-, bromide, endo-(+-)-, mixt. with neomycin sulfate (salt)

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
1,297.27 g/molcalc.
Exact mass
1,295.4261 Dacalc.
LogP (octanol/water)
-11.28calc.
Topological polar surface area
598.8 Ųcalc.
Hydrogen bond donors
19calc.
Hydrogen bond acceptors
27calc.
Rotatable bonds
14calc.
Heavy atoms
83calc.
Rings
8calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.7calc.
Formal charge
0calc.
Stereocentres
22calc.
Components
5calc.
Lipinski rule of five
Fails (3 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, C1CCC(OC2COC(OC3CCCCC3OC3CCCCO3)C2)OC1

C1CCC(OC2COC(OC3CCCCC3OC3CCCCO3)C2)OC1

4 rings, 26 atoms.

49 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.

Diaropect suppliers

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Diaropect 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 Diaropect is traded under.

HS 2932.19Indicative HS code

Compounds containing an unfused furan ring (whether or not hydrogenated) in the…

World exports in 2024
$2.62B
−6.4% vs 2023, imports $2.56B
2019 to 2024
Top exporters
  1. Germany57.9%
  2. Italy11.5%
  3. China10.4%
Top importers
  1. Greece40.4%
  2. Japan16.3%
  3. Germany12.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Diaropect?

Diaropect is a chemical substance with the molecular formula C47H82BrN11O22S2 and a molar mass of 1,297.27 g/mol. Its CAS registry number is 52503-65-8.

What is the CAS number of Diaropect?

The CAS registry number of Diaropect is 52503-65-8.

What is the molecular formula and weight of Diaropect?

The molecular formula of Diaropect is C47H82BrN11O22S2 and its molar mass is 1,297.27 g/mol.

Is Diaropect hazardous?

No GHS hazard classification for Diaropect 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 Diaropect?

Diaropect is usually classified under HS code 293219 (Compounds containing an unfused furan ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Diaropect?

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What is the price of Diaropect?

Suppliers quote Diaropect 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 Diaropect

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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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