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Amines and amides

Doleron

CAS 63482-28-0Formula C69H83Cl2N9O11SMolar mass 1,317.45 g/mol
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Doleron chemical structure, C69H83Cl2N9O11S, CAS 63482-28-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
63482-28-0
Formula
C69H83Cl2N9O11S
Molar mass
1,317.45 g/mol
HS code
292219
Category
Amines and amides

What is Doleron?

Plain description, key identifiers and synonyms

Doleron is a chemical substance with the molecular formula C69H83Cl2N9O11S and a molar mass of 1,317.45 g/mol. Its CAS registry number is 63482-28-0. The IUPAC name is 2-acetyloxybenzoic acid, 2-(diethylamino)ethyl phenothiazine-10-carboxylate, (E)-2-[(dimethylamino)methyl]-2-methyl-1-phenyl-1-phenylmethoxypent-3-en-1-ol, 1,5-dimethyl-2-phenylpyrazol-3-one, 1,3,7-trimethylpurine-2,6-dione, dihydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-acetyloxybenzoic acid, 2-(diethylamino)ethyl phenothiazine-10-carboxylate, (E)-2-[(dimethylamino)methyl]-2-methyl-1-phenyl-1-phenylmethoxypent-3-en-1-ol, 1,5-dimethyl-2-phenylpyrazol-3-one, 1,3,7-trimethylpurine-2,6-dione, dihydrochloride
CAS number
63482-28-0
Molecular formula
C69H83Cl2N9O11S
InChIKey
FQCXODIEHUOTCQ-HLXCIQPBSA-N
InChI
InChI=1S/C22H29NO2.C19H22N2O2S.C11H12N2O.C9H8O4.C8H10N4O2.2ClH/c1-5-16-21(2,18-23(3)4)22(24,20-14-10-7-11-15-20)25-17-19-12-8-6-9-13-19;1-3-20(4-2)13-14-23-19(22)21-15-9-5-7-11-17(15)24-18-12-8-6-10-16(18)21;1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2;;/h5-16,24H,17-18H2,1-4H3;5-12H,3-4,13-14H2,1-2H3;3-8H,1-2H3;2-5H,1H3,(H,11,12);4H,1-3H3;2*1H/b16-5+;;;;;;
Canonical SMILES
CC(=O)Oc1ccccc1C(=O)O.CC=CC(C)(CN(C)C)C(O)(OCc1ccccc1)c1ccccc1.CCN(CC)CCOC(=O)N1c2ccccc2Sc2ccccc21.Cc1cc(=O)n(-c2ccccc2)n1C.Cl.Cl.Cn1c(=O)c2c(ncn2C)n(C)c1=O
Isomeric SMILES
CCN(CC)CCOC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.C/C=C/C(C)(CN(C)C)C(C1=CC=CC=C1)(O)OCC2=CC=CC=C2.CC1=CC(=O)N(N1C)C2=CC=CC=C2.CC(=O)OC1=CC=CC=C1C(=O)O.CN1C=NC2=C1C(=O)N(C(=O)N2C)C.Cl.Cl

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
1,317.45 g/molcalc.
Exact mass
1,315.531 Dacalc.
LogP (octanol/water)
11.57calc.
Topological polar surface area
217.8 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
14calc.
Rotatable bonds
16calc.
Heavy atoms
92calc.
Rings
10calc.
Aromatic rings
9calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
7calc.
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(COCc2ccccc2)cc1

c1ccc(COCc2ccccc2)cc1

2 rings, 15 atoms, the Dibenzyl ether ring system.

227 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.

Doleron suppliers

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Doleron 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 Doleron is traded under.

HS 2922.19Indicative HS code

Amino-alcohols, other than those containing more than one kind of oxygen function, their…

World exports in 2024
$2.2B
−4.7% vs 2023, imports $2.27B
2019 to 2024
Top exporters
  1. China21.7%
  2. Germany17.3%
  3. United States15.6%
Top importers
  1. India * partner reported11.0%
  2. United States9.0%
  3. Germany7.2%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Doleron?

Doleron is a chemical substance with the molecular formula C69H83Cl2N9O11S and a molar mass of 1,317.45 g/mol. Its CAS registry number is 63482-28-0.

What is the CAS number of Doleron?

The CAS registry number of Doleron is 63482-28-0.

What is the molecular formula and weight of Doleron?

The molecular formula of Doleron is C69H83Cl2N9O11S and its molar mass is 1,317.45 g/mol.

Is Doleron hazardous?

No GHS hazard classification for Doleron 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 Doleron?

Doleron is usually classified under HS code 292219 (Amino-alcohols, other than those containing more than one kind of oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Doleron?

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What is the price of Doleron?

Suppliers quote Doleron 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 Doleron

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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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