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Esters and lactones

Duotrav

Also known as Duotrav (TN), Duo trav, Travoprost/timolol maleate combination

CAS 874755-80-3Formula C43H63F3N4O13SMolar mass 933.05 g/mol
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Duotrav chemical structure, C43H63F3N4O13S, CAS 874755-80-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
874755-80-3
Formula
C43H63F3N4O13S
Molar mass
933.05 g/mol
HS code
291899
Category
Esters and lactones

What is Duotrav?

Plain description, key identifiers and synonyms

Duotrav is a chemical substance with the molecular formula C43H63F3N4O13S and a molar mass of 933.05 g/mol. Its CAS registry number is 874755-80-3. The IUPAC name is (Z)-but-2-enedioic acid, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(Z)-but-2-enedioic acid, (2S)-1-(tert-butylamino)-3-[(4-morpholin-4-yl-1,2,5-thiadiazol-3-yl)oxy]propan-2-ol, propan-2-yl (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3R)-3-hydroxy-4-[3-(trifluoromethyl)phenoxy]but-1-enyl]cyclopentyl]hept-5-enoate
CAS number
874755-80-3
Molecular formula
C43H63F3N4O13S
InChIKey
FCDYIAFWEUGQSZ-KMVOCYRZSA-N
InChI
InChI=1S/C26H35F3O6.C13H24N4O3S.C4H4O4/c1-17(2)35-25(33)11-6-4-3-5-10-21-22(24(32)15-23(21)31)13-12-19(30)16-34-20-9-7-8-18(14-20)26(27,28)29;1-13(2,3)14-8-10(18)9-20-12-11(15-21-16-12)17-4-6-19-7-5-17;5-3(6)1-2-4(7)8/h3,5,7-9,12-14,17,19,21-24,30-32H,4,6,10-11,15-16H2,1-2H3;10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b5-3-,13-12+;;2-1-/t19-,21-,22-,23+,24-;10-;/m10./s1
Canonical SMILES
CC(C)(C)NCC(O)COc1nsnc1N1CCOCC1.CC(C)OC(=O)CCCC=CCC1C(O)CC(O)C1C=CC(O)COc1cccc(C(F)(F)F)c1.O=C(O)C=CC(=O)O
Isomeric SMILES
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/[C@H](COC2=CC=CC(=C2)C(F)(F)F)O)O)O.CC(C)(C)NC[C@@H](COC1=NSN=C1N2CCOCC2)O.C(=C\C(=O)O)\C(=O)O

Synonyms

  • Duotrav (TN)
  • Duo trav
  • Travoprost/timolol maleate combination
  • Travoprost / timolol maleate combination

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
933.05 g/molcalc.
Exact mass
932.4064 Dacalc.
LogP (octanol/water)
4.64calc.
Topological polar surface area
250.6 Ųcalc.
Hydrogen bond donors
7calc.
Hydrogen bond acceptors
16calc.
Rotatable bonds
20calc.
Heavy atoms
64calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.61calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
3calc.
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, C(=CC1CCCC1)CCOc1ccccc1

C(=CC1CCCC1)CCOc1ccccc1

2 rings, 16 atoms.

110 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.

Duotrav suppliers

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Duotrav 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 Duotrav is traded under.

HS 2918.99Indicative HS code

Carboxylic acids, with additional oxygen function (not alcohol, phenol, aldehyde or ketone)…

World exports in 2024
$1.46B
−1.1% vs 2023, imports $1.54B
2019 to 2024
Top exporters
  1. China40.0%
  2. India * partner reported26.6%
  3. Germany8.0%
Top importers
  1. United States25.6%
  2. Brazil6.7%
  3. Argentina5.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Duotrav?

Duotrav is a chemical substance with the molecular formula C43H63F3N4O13S and a molar mass of 933.05 g/mol. Its CAS registry number is 874755-80-3.

What is the CAS number of Duotrav?

The CAS registry number of Duotrav is 874755-80-3.

What is the molecular formula and weight of Duotrav?

The molecular formula of Duotrav is C43H63F3N4O13S and its molar mass is 933.05 g/mol.

Is Duotrav hazardous?

No GHS hazard classification for Duotrav 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 Duotrav?

Duotrav is usually classified under HS code 291899 (Carboxylic acids with additional oxygen function and their anhydrides, halides…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Duotrav?

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What is the price of Duotrav?

Suppliers quote Duotrav 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 Duotrav

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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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