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Screening compounds

TA-2005

Also known as Carmoterol hydrochloride, Carmoterol HCl, 8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one, hydrochloride

CAS 137888-11-0Formula C21H25ClN2O4Molar mass 404.89 g/molEC 694-541-5
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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TA-2005 chemical structure, C21H25ClN2O4, CAS 137888-11-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
137888-11-0
Formula
C21H25ClN2O4
Molar mass
404.89 g/mol
EC number
694-541-5
HS code
293349
Category
Screening compounds

What is TA-2005?

Plain description, key identifiers and synonyms

TA-2005 is a chemical substance with the molecular formula C21H25ClN2O4 and a molar mass of 404.89 g/mol. Its CAS registry number is 137888-11-0. The IUPAC name is 8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one, hydrochloride
CAS number
137888-11-0Other or deprecated CAS: 100429-08-1
EC number
694-541-5
Molecular formula
C21H25ClN2O4
UNII
0WLO9P0V75
InChIKey
SYCWERNQGSKYAG-QVRIGTRMSA-N
InChI
InChI=1S/C21H24N2O4.ClH/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21;/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26);1H/t13-,19+;/m1./s1
Canonical SMILES
COc1ccc(CC(C)NCC(O)c2ccc(O)c3[nH]c(=O)ccc23)cc1.Cl
Isomeric SMILES
C[C@H](CC1=CC=C(C=C1)OC)NC[C@@H](C2=C3C=CC(=O)NC3=C(C=C2)O)O.Cl

Synonyms

  • Carmoterol hydrochloride
  • Carmoterol HCl
  • 8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one, hydrochloride
  • 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, hydrochloride, (R-(R*,R*))-
  • TA 2005
  • CHF 4226.01
  • 137888-11-0 (HCl)
  • 8-Hydroxy-5-((1R)-1-hydroxy-2-(N-(1R)-2-(p-methoxyphenyl)isopropylamino)ethyl)carbostyril HCl
  • Carmoterolhydrochloride
  • 8-Hydroxy-5-(1-hydroxy-2-(N-(2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)carbostyril hydrochloride
  • 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, (R-(R*,R*))-, hydrochloride
  • 2(1H)-quinolinone, 8-hydroxy-5-((1R)-1-hydroxy-2-(((1R)-2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, hydrochloride (1:1)
  • 2(1H)-Quinolinone, 8-hydroxy-5-(1-hydroxy-2-((2-(4-methoxyphenyl)-1-methylethyl)amino)ethyl)-, monohydrochloride, (R-(R*,R*))-
  • 5-(1-Hydroxy-2-{[1-(4-methoxyphenyl)propan-2-yl]amino}ethyl)quinoline-2,8-diol--hydrogen chloride (1/1)
  • 5-[(1R)-1-Hydroxy-2-{[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino}ethyl]quinoline-2,8-diol--hydrogen chloride (1/1)
  • 8-hydroxy-5-{(1r)-1-hydroxy-2-[n-((1r)-2-(p-methoxyphenyl)-1-methylethyl)amino]ethyl}carbostyril hydrochloride

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
404.89 g/molcalc.
Exact mass
404.1503 Dacalc.
LogP (octanol/water)
2.92calc.
Topological polar surface area
94.58 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.29calc.
Formal charge
0calc.
Stereocentres
2calc.
Components
2calc.
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=c1ccc2c(CCNCCc3ccccc3)cccc2[nH]1

O=c1ccc2c(CCNCCc3ccccc3)cccc2[nH]1

3 rings, 22 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

TA-2005 suppliers

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TA-2005 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 TA-2005 is traded under.

HS 2933.49Indicative HS code

Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…

World exports in 2024
$939M
−14.6% vs 2023, imports $1.48B
2019 to 2024
Top exporters
  1. China30.1%
  2. India * partner reported16.7%
  3. Switzerland * partner reported14.1%
Top importers
  1. United Kingdom19.2%
  2. Germany16.0%
  3. Romania8.3%

* Partner reported figures, a lower bound.

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

The HS code shown for TA-2005 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about TA-2005, based on the data on this page

What is TA-2005?

TA-2005 is a chemical substance with the molecular formula C21H25ClN2O4 and a molar mass of 404.89 g/mol. Its CAS registry number is 137888-11-0. The IUPAC name is 8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one, hydrochloride.

What is the CAS number of TA-2005?

The CAS registry number of TA-2005 is 137888-11-0. Other or deprecated CAS numbers: 100429-08-1.

What is the molecular formula and weight of TA-2005?

The molecular formula of TA-2005 is C21H25ClN2O4 and its molar mass is 404.89 g/mol.

What is TA-2005 used for?

Known uses and roles of TA-2005 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is TA-2005 hazardous?

TA-2005 carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of TA-2005?

TA-2005 is usually classified under HS code 293349 (Compounds containing in the structure a quinoline or isoquinoline ring-system (whether…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy TA-2005?

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What is the price of TA-2005?

Suppliers quote TA-2005 on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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