(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1) | CAS No. 23541-50-6

(1S,3S)-3-Acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-1-tetracenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride (1:1)

Basic Information

CAS Number

23541-50-6

Molecular Formula

C27H30ClNO10

Molecular Weight

563.99 g/mol

AD

Basic Physical Properties

Melting Point

194-200°C

Boiling Point

770 °C at 760 mmHg

Flash Point

419.5 °C

Solubility

Soluble (NTP, 1992)

Vapor Pressure

No data available

Specific Rotation

+250.0 to +275.0 ° (c=0.15, MeOH)

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O)C)O)N)O.Cl

InChI

InChI=1S/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,22+,27-;/m0./s1

InChIKey

GUGHGUXZJWAIAS-QQYBVWGSSA-N

LogP

1.4506999999999999

Topological Polar Surface Area

185.84 Ų

Hydrogen Bond Donor/Acceptor

6 / 11

Complexity

960

Safety Information

View Safety Information

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral
H317 May cause an allergic skin reaction
Sensitization, Skin
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory
H351 Suspected of causing cancer
Carcinogenicity

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 in mice (mg/kg): 26 i.v. (DiMarco, 1969)

Synonyms & References

English

  • daunomycin hydrochloride
  • Daunorubicin hydrochloride
  • rubidomycin hydrochloride
  • Daunorubicin, HCl
  • DAUNOMYCIN
  • DaunoMycin, Monohydrochloride
  • Daunorubicin (hydrochloride)
  • Daunorubicin • HCl (Daunomycin • HCl)
  • Daunorubicin hydrochloride(BICINS)
  • Daunorubicinol hydrochloride
  • Cerubidine
  • Dau hydrochloride
  • daunoblastin
  • daunoblastina
  • DAUNOBLASTINE
  • DAUNOMYCIN HCL
  • DAUNOMYCINE HCL
  • Hydroxydaunorubicin Hydrochloride
  • ndc0082-4155
  • ondena
  • RP 13057 Hydrochloride
  • RP-13057 Hydrochloride
  • WP900 HYDROCHLORIDE
  • (8S-cis)-8-Acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-5,12-naphthacenedione hydrochloride
  • Daunorubicin HCl
  • Rubomycin
  • Daunomycin chlorohydrate
  • Daunomycin, hydrochloride
  • UD984I04LZ
  • daunomycin hydrochloride,Daunorubicin hydrochloride,rubidomycin hydrochloride,Daunorubicin, HCl,DAUNOMYCIN,DaunoMycin, Monohydrochloride,Daunorubicin (hydrochloride),Daunorubicin • HCl (Daunomycin • HCl)
  • Daunomycin Hydrochloride

MDL Number

MFCD04974507

Customs Code

2932999099

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