(2S)-1-[(2-Methyl-2-propanyl)amino]-3-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-2-propanol (2Z)-2-butenedioate (1:1)

Basic Information

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CAS Number

26921-17-5

Molecular Formula

C17H28N4O7S

Molecular Weight

432.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

200-207°C

Boiling Point

704.6°C at 760 mmHg

Flash Point

380°C

Solubility

H2O: soluble

Specific Rotation

-4.5 ~ -6.5° (c=1, in 1M HCl)

SMILES

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CC(C)(C)NC[C@H](O)COc1nsnc1N2CCOCC2.OC(=O)/C=C\C(=O)O

InChI

InChI=1S/C13H24N4O3S.C4H4O4/c1-13(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/h10,14,18H,4-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t10-;/m0./s1

InChIKey

WLRMANUAADYWEA-NWASOUNVSA-N

LogP

0.21430000000000116

Topological Polar Surface Area

154.33999999999997 Å²

Hydrogen Bond Donor/Acceptor

4 / 11

Complexity

429

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

timolol maleate
(S)-[1-(1,1dimethylethyl)amino]-3-[[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy]-2-propanol maleate
(S)-(-)-Timolol Maleate
(S)-Timolol maleate
Betim
Timolol maleate salt
S-(−)-1-(t-Butylamino)-3-[(4-morpholino-1,2,5-thiadiazol-3-yl)oxy]-2-propanol maleate salt
Timolol hydrogen maleate
(S)-1-((1,1-Dimethylethyl)amino)-3-((4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl)oxy)-2-propanol (Z)-2-butenedioate (1:1)
(S)-3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole monom
(S)-3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thiadiazole monomaleate
Timoptic
Blocadren
Timacor
Betime
Timoptic-XE
l-Timolol maleate
(S)-Timolol (Maleate)
Timoptic in Ocudose
(S)-Timolol hydrogen maleate
C13H24N4O3S.C4H4O4
MK 950
MLS000028539
P8Y54F701R
(-)-1-(tert-Butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)-2-propanol maleate
SMR000058305
(S)-3-[3-(tert-butylamino)-2-hydroxypropoxy]-4-morpholino-1,2,5-thi
L-714,465 Maleate
(S)-Timolol Maleate
(S)-1-(tert-butylamino)-3-((4-morpholino-1,2,5-thiadiazol-3-yl)oxy)propan-2-ol
maleate (1:1)

MDL Number

MFCD00058356

Customs Code

2934999090

FAQ

What is (2S)-1-[(2-Methyl-2-propanyl)amino]-3-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-2-propanol (2Z)-2-butenedioate (1:1) (CAS: 26921-17-5)?

This compound, with the CAS number 26921-17-5, is a complex organic molecule containing a morpholine ring and a thiadiazole group. It is a chiral molecule with the (2S) and (2Z) configurations, and its structure includes an amino group, a hydroxyl group, and a butenedioate ester. It is often used as an intermediate in pharmaceutical synthesis due to its functional group diversity and reactivity.

What are the main uses of (2S)-1-[(2-Methyl-2-propanyl)amino]-3-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-2-propanol (2Z)-2-butenedioate (1:1) (CAS: 26921-17-5)?

This compound is primarily used in pharmaceutical research as a key intermediate for developing drugs targeting various therapeutic areas. It is also applied in organic synthesis and chemical research for its structural versatility and reactivity. Its unique functional groups make it valuable in creating molecules with specific biological activities.

Is (2S)-1-[(2-Methyl-2-propanyl)amino]-3-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-2-propanol (2Z)-2-butenedioate (1:1) (CAS: 26921-17-5) safe?

The safety of this compound depends on its handling and application. It is generally considered safe when used in controlled laboratory settings, but proper protective equipment should be worn during manipulation. Safety data sheets (SDS) should be consulted for detailed information on toxicity and exposure limits.

How should (2S)-1-[(2-Methyl-2-propanyl)amino]-3-{[4-(4-morpholinyl)-1,2,5-thiadiazol-3-yl]oxy}-2-propanol (2Z)-2-butenedioate (1:1) (CAS: 26921-17-5) be stored?

This compound should be stored in a cool, dry, and dark place to maintain stability. It is recommended to keep it in a sealed container at a temperature below 25°C and away from moisture and light. Proper ventilation is also necessary to ensure safe storage conditions.