N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate

Basic Information

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CAS Number

150915-40-5

Molecular Formula

C22H39ClN2O6S

Molecular Weight

495.08 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

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

132°C

Solubility

DMSO: >12mg/mL at warmed to 60°C

Specific Rotation

-10° - -18° (c=1, MeOH)

SMILES

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CCCCS(=O)(=O)NC(CC1=CC=C(C=C1)OCCCCC2CCNCC2)C(=O)O.O.Cl

InChI

InChI=1S/C22H36N2O5S.ClH.H2O/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H;1H2/t21-;;/m0../s1

InChIKey

HWAAPJPFZPHHBC-FGJQBABTSA-N

LogP

2.5476000000000014

Topological Polar Surface Area

136.23000000000002 Å²

Hydrogen Bond Donor/Acceptor

5 / 8

Complexity

579

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

N-(BUTYLSULFONYL)-O-[4-(4-PIPERIDINYL)BUTYL]-L-TYROSINE
BT164476
Q-101314
(2S)-2-(Butylsulfonylamino)-3-[4-[4-(4-piperidyl)butoxy]phenyl]propanoic acid hydrochloride hydrate
MFCD07368623
Tirofiban hydrochloride [USAN]
Tirofiban (hydrochloride monohydrate)
s8594
Tirofiban hydrochloride monohydrate, >=98% (HPLC)
Tirofiban hydrochloride (USAN)
Tox21_112980_1
MK-383
UNII-6H925F8O5J
TIROFIBANHYDROCHLORIDEMONOHYDRATE
L-Tyrosine, N-(butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-, monohydrochloride, monohydrate
AS-11027
Tirofiban hydrochloride hydrate
Tirofiban, Hydrochloride
TIROFIBAN HYDROCHLORIDE MONOHYDRATE [WHO-DD]
4-(4-Pyridinyl)butanol hydrochloride
MK 383
NCGC00182085-01
TIROFIBAN HYDROCHLORIDE (MART.)
N-(Butylsulfonyl)-O-(4-(4-piperidinyl)butyl)-L-tyrosine monohydrochloride
Tirofiban hydrochloride monohydrate
CHEBI:9606
UNII-IKE1P4X57J
Tirofiban hydrochloride anhydrous
TIROFIBAN HYDROCHLORIDE [VANDF]
TIROFIBAN HYDROCHLORIDE [ORANGE BOOK]
N-(Butylsulfonyl)-4-(4-(4-piperidyl)butoxy)-L-phenylalanine monohydrochloride monohydrate

MDL Number

MFCD00868210

FAQ

What is N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate (CAS: 150915-40-5)?

N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate is a chemical compound with the CAS number 150915-40-5. It is a tyrosine derivative containing a butylsulfonyl group and a 4-(4-piperidinyl)butyl chain. This compound is typically used in chemical synthesis and research, exhibiting solubility in water and stability under controlled conditions.

What are the main uses of N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate (CAS: 150915-40-5)?

N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate (CAS: 150915-40-5) is primarily used in pharmaceutical research and development as a building block for drug design. It may also find applications in organic synthesis, biochemistry studies, and as a reagent in various chemical processes due to its structural versatility.

Is N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate (CAS: 150915-40-5) safe?

N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate (CAS: 150915-40-5) is generally considered safe when handled properly. However, as with many chemical compounds, it should be used with caution, and appropriate protective measures such as gloves and goggles are recommended. Always follow safety guidelines for chemical handling and storage.

How should N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate (CAS: 150915-40-5) be stored?

N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride hydrate (CAS: 150915-40-5) should be stored in a cool, dry place away from direct light. It is best kept in a sealed container to prevent moisture absorption and maintain its stability. Proper storage conditions are essential to preserve its chemical integrity and effectiveness.