(4S)-4-({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one

Basic Information

View in Editor

CAS Number

139264-17-8

Molecular Formula

C16H21N3O2

Molecular Weight

287.36 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

Basic Physical Properties

Physical State

Powder

Melting Point

136.0 to 140.0 deg-C

Boiling Point

563.3°C at 760 mmHg

Density

1.217

Flash Point

294.5 °C

Solubility

Soluble in DMSO at 5mg/ml

Refractive Index

1.619

Specific Rotation

-3° to -9° (c=1, MeOH)

SMILES

View in Editor

CN(C)CCC1=CNC2=C1C=C(C=C2)CC3COC(=O)N3

InChI

InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1

InChIKey

ULSDMUVEXKOYBU-ZDUSSCGKSA-N

LogP

1.9228999999999998

pKa

9.64(at 25℃)

Topological Polar Surface Area

57.36 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

375

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

thermally sensitive

Synonyms & References

English

ULSDMUVEXKOYBU-ZDUSSCGKSA-N
139264-17-8
ZOLMITRIPTAN [WHO-DD]
NCGC00095155-01
2-Oxazolidinone, 4-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-, (4S)-
NC00382
Cvt-427
Spectrum2_000728
(S)-N,N-Dimethyl-2-[5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H -indol-3-yl]ethylamine
Zolmitriptan RapidFilm
zolmitriptane
(4S)-4-((3-(2-(Dimethylamino)ethyl) -1H-indol-5-yl)methyl)-2-oxazolidinone
(S)-4-[3-(2-Dimethylamino-ethyl)-1H-indol-5-ylmethyl]-oxazolidin-2-one
Rapimelt
(4S)-4-({3-[2-(dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one
Flezol
NSC 760383
ZOLMITRIPTAN [VANDF]
Zolmitriptan (JAN/USP/INN)
SR-05000001693-1
BDBM50033383
zipton
4-((3-(2-dimethylaminoethyl)-1H-indol-5-yl)methyl)oxazolidin-2-one
BZ164590
SCHEMBL33336
Zomig
2-Oxazolidinone, 4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-,(S)-
s1649
(4S)-4-((3-(2-(dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
NCGC00263884-03
(s)-4-{3-[2-(dimethylamino)ethyl]-1h-indol-5-ylmethyl}oxazolidin-2-one

MDL Number

MFCD00871503

Customs Code

2934999090

FAQ

What is (4S)-4-({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 139264-17-8)?

This compound, with the CAS number 139264-17-8, is a synthetic organic molecule containing an indole ring, a dimethylaminoethyl group, and an oxazolidinone moiety. It is characterized by its complex structure, which includes stereochemical features (4S configuration) and functional groups such as amide and lactam. It is commonly used as a pharmaceutical intermediate due to its ability to modulate biological activity through molecular interactions.

What are the main uses of (4S)-4-({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 139264-17-8)?

The compound is primarily utilized in pharmaceutical research for developing drugs targeting neurological disorders and inflammatory conditions. Its structure makes it suitable for applications in medicinal chemistry, such as enzyme inhibition and receptor modulation. It may also serve as an intermediate in organic synthesis and be relevant in biochemical studies involving oxazolidinone derivatives.

Is (4S)-4-({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 139264-17-8) safe?

Safety data for this compound is limited, but it is generally considered low toxicity when handled properly. Precautions include wearing protective gloves and eye wear, avoiding inhalation, and working in a well-ventilated area. Always follow safety data sheet guidelines and standard chemical handling protocols to ensure safe use in laboratory or industrial settings.

How should (4S)-4-({3-[2-(Dimethylamino)ethyl]-1H-indol-5-yl}methyl)-1,3-oxazolidin-2-one (CAS: 139264-17-8) be stored?

This compound should be stored in a cool, dry place, away from light, in a sealed container to prevent moisture absorption. It is stable under standard storage conditions but may degrade if exposed to high humidity or air. Maintain proper storage to ensure chemical integrity and safety, especially when handling sensitive functional groups like oxazolidinone.