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Home> Encyclopedia > Hot Product Listed K   > Karugamycin
36531-78-9 structure

Karugamycin

CAS No.:36531-78-9
Molecular Weight:478.62302
Molecular Formula:C29H38N2O4 (isomer)
Names and Identifiers
Synonyms

(7E,19E)-3-ethyl-16-hydroxy-2-methyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-1H-14,17-methano-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,18,22-trione [2R-(2R*,3R*,3aS*,5aR*,5bS*,14S*,20aS*,21aR*,21bR*)]-3-Ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-14,17-metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione 14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine, ikarugamycinderiv. 14,17-Metheno-17H-as-indaceno[3,2-k][1,6]diazacycloheptadecine-9,16,18(1H)-trione,3-ethyl-2,3,3a,5a,5b,6,10,11,12,13,14,15,20a,21,21a,21b-hexadecahydro-22-hydroxy-2-methyl-,[2R-(2R*,3R*,3aS*,5aR*,5bS*,14S*,20aS*,21aR*,21bR*)]- TU-6239 C3

Inchi
InChI=1/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,31,35H,3,5-7,13-15H2,1-2H3,(H,30,33)/b8-4+,12-9+
Canonical Smiles
CCC1C(CC2C1C=CC3C2CC4C3CC=CC(=O)NCCCC5C(=O)C(=C(N5)O)C(=O)C=C4)C
Isomers Smiles
CCC1C(CC2C1C=CC3C2CC\4C3C/C=C/C(=O)NCCCC5C(=O)C(=C(N5)O)C(=O)/C=C4)C
Properties
Density
1.22
Boiling Point
710.8 °C at 760 mmHg
Refractive Index
1.603
Flash Point
383.7 °C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 3

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Danger

Hazard statement(s)

H301 Toxic if swallowed

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

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

Response

P301+P310 IF SWALLOWED: Immediately call a POISON CENTER/doctor/\u2026

P321 Specific treatment (see ... on this label).

P330 Rinse mouth.

Storage

P405 Store locked up.

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Precursor and Product
precursor:
123125-31-5
123125-31-5
Computational chemical data
  • Molecular Weight:478.62302g/mol
  • Molecular Formula:C29H38N2O4
  • Exact Mass:478.283158
  • Monoisotopic Mass:478.283158
  • Complexity:1010
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:95.5
  • Heavy Atom Count:35
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:9
  • Defined Bond Stereocenter Count:2
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:(800) 942-0430
  • Fax:(610) 941-9252
  • Tel:86-29-81870665,13609285751
  • Fax:86-29-88353140
  • Tel:+86-29-85733402
  • Fax:+86-29-85733405
  • Tel:+44 (0)208 191 7890
  • Fax:
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:+1-(651)-644-8357
  • Fax:+1-(651)-644-8424
  • Tel:858 452 9925
  • Fax:858 452 9926
 
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