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Home> Hot Product Listed R   > Ristomycin A aglycone,22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-[(phenylamino)thioxomethy...
93793-83-0 structure

Ristomycin A aglycone,22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-[(phenylamino)thioxomethyl]-(9CI)
Iupac Name：[2-oxo-2-[3-[3-(piperidin-1-ylmethyl)phenoxy]propylamino]ethyl] acetate;hydrochloride
CAS No.：93793-83-0
Molecular Weight：384.89800
Molecular Formula：C6H14BR4O6RE2-6 (isomer)
Directory
Names and Identifiers
Synonyms

1H,15H,34H-20,23:30,33-Dietheno-3,18:35,48-bis(iminomethano)-4,8:10,14:25,28:43,47-tetrametheno-28H-[1,14,6,22]dioxadiazacyclooctacosino[4,5-m][10,2,16]benzoxadiazacyclotetracosine,ristomycin A aglycone deriv.

Inchi
InChI=1S/C19H28N2O4.ClH/c1-16(22)25-15-19(23)20-9-6-12-24-18-8-5-7-17(13-18)14-21-10-3-2-4-11-21;/h5,7-8,13H,2-4,6,9-12,14-15H2,1H3,(H,20,23);1H
InChkey
FEWCTJHCXOHWNL-UHFFFAOYSA-N
Canonical Smiles
CC(=O)OCC(=O)NCCCOC1=CC=CC(=C1)CN2CCCCC2.Cl
Properties
Density
1.67
Melting Point
145-146°
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 93793-83-0 EC: Ristomycin A aglycone,22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-[(phenylamino)thioxomethyl]-(9CI) ·ECHA C&L Inventory for CAS: CAS: 93793-83-0 EC: Ristomycin A aglycone,22,31-dichloro-7-demethyl-64-O-demethyl-19-deoxy-N15-[(phenylamino)thioxomethyl]-(9CI)
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed
Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

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

P330 Rinse mouth.

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

View all
Computational chemical data
  • Molecular Weight：384.89800g/mol
  • Molecular Formula：C6H14BR4O6RE2-6
  • Compound Is Canonicalized：True
  • Exact Mass：384.182
  • Monoisotopic Mass：384.182
  • Complexity：410
  • Rotatable Bond Count：10
  • Hydrogen Bond Donor Count：2
  • Hydrogen Bond Acceptor Count：5
  • Topological Polar Surface Area：67.9A^2
  • Heavy Atom Count：26
  • Defined Atom Stereocenter Count：0
  • 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： AAADceB7OAAEAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADAThmAYyDoPABACI AiHSGAKCCAAgIAAIiIBODIgOJiKEsR+HOCjm1hGYqAewwBAOAAABAAAAAAAAAAIAAAAAAAAAAAAA AA==
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