ADRIAMYCIN-14-OCTANOATEHYDROCHLORIDE

Modify Date: 2024-09-13 21:07:15

ADRIAMYCIN-14-OCTANOATEHYDROCHLORIDE Structure
ADRIAMYCIN-14-OCTANOATEHYDROCHLORIDE structure
Common Name ADRIAMYCIN-14-OCTANOATEHYDROCHLORIDE
CAS Number 51898-39-6 Molecular Weight 706.17600
Density N/A Boiling Point 839.5ºC at 760mmHg
Molecular Formula C35H44ClNO12 Melting Point N/A
MSDS N/A Flash Point 461.5ºC

 Names

Name Adriamycin, 14-octanoate, hydrochloride

 Chemical & Physical Properties

Boiling Point 839.5ºC at 760mmHg
Molecular Formula C35H44ClNO12
Molecular Weight 706.17600
Flash Point 461.5ºC
Exact Mass 705.25500
PSA 212.14000
LogP 4.41500
InChIKey PCIHZBKBBKWVRO-WLMNPPFISA-N
SMILES CCCCCCCC(=O)OCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(N)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O.Cl

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RH0367000
CHEMICAL NAME :
Octanoic acid, 2-(4-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyrano syl)oxy)-1,2,3,4,6,11- hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-2-na phthacenyl)-2-oxoethyl ester, hydrochloride, (2S-cis)
CAS REGISTRY NUMBER :
51898-39-6
LAST UPDATED :
199106
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C35-H43-N-O12.Cl-H
MOLECULAR WEIGHT :
706.25
WISWESSER LINE NOTATION :
L E6 C666 BV MVT&&&J DQ HV1OV7 HQ KQ RO1 FO- FT6OTJ B1 CQ DZ &GH

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
19 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
DNA damage
TEST SYSTEM :
Mammal - species unspecified Lymphocyte
DOSE/DURATION :
52 umol/L
REFERENCE :
FRPSAX Farmaco, Edizione Scientifica. (Casella Postale 227, 27100 Pavia, Italy) V.8-43 1953-88 For publisher information, see FRMCE8 Volume(issue)/page/year: 32,315,1977
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