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Home> Hot Product Listed D   > DB-062141
99294-93-6 structure

DB-062141

Iupac Name:(2R,3R)-2,3-dihydroxybutanedioic acid;N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
CAS No.:99294-93-6
Molecular Weight:457.483
Molecular Formula:C17H20N2O3 (isomer)
Names and Identifiers
Synonyms

4-bromo-3-(chlorosulfonyl)-2-thiophene carboxylic acid ethyl ester SCHEMBL7034512

Inchi
InChI=1S/C19H21N3O.C4H6O6/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChkey
NYVVVBWEVRSKIU-LREBCSMRSA-N
Canonical Smiles
CC1=CC=C(C=C1)C2=C(N3C=C(C=CC3=N2)C)CC(=O)N(C)C.C(C(C(=O)O)O)(C(=O)O)O
Properties
Melting Point
196 deg C /Zolpidem/
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
26-36
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 99294-93-6 EC: DB-062141 ·ECHA C&L Inventory for CAS: CAS: 99294-93-6 EC: DB-062141
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

H411 Toxic to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P270 Do not eat, drink or smoke when using this product.

P273 Avoid release to the environment.

Response

P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell.

P330 Rinse mouth.

P391 Collect spillage.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:457.483g/mol
  • Molecular Formula:C17H20N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:457.185
  • Monoisotopic Mass:457.185
  • Complexity:551
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:4
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:153A^2
  • Heavy Atom Count:33
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgAACAAADBzhnwY/uJ8MGgCo Azf3fAKCgC0xEqAJ2CF4dJiJeP7A3ZGUYAhtogLJyCdfiMCOQAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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