Karminomycin hydrochloride (52794-97-5),Karminomycin hydrochloride (52794-97-5) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
KARMINOMYCIN HYDROCHLORIDE
CAS No.:
52794-97-5
Molecular Structure:
Formula:
C₂₆H₂₈ClNO₁₀
Molecular Weight:
0
Density:
1.63g/cm³
Boiling Point:
750.6°Cat760mmHg
Flash Point:
407.7°C
Safety Description:
Poison by ingestion and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of HCl. See also KARMINOMYCIN. Details

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Chemistry

IUPAC Name: (7S,9S)-9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-4,6,9,11-tetrahydroxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
Molecular Formula C₂₆H₂₈ClNO₁₀
Molecular Weight 549.95422g/mol
H-Bond Donor: 7
H-Bond Acceptor: 11
Rotatable Bond Count: 3
Tautomer Count: 372
Exact Mass: 549.140174
MonoIsotopic Mass: 549.140174
Topological Polar Surface Area: 197
Heavy Atom Count: 38
Formal Charge: 0
Complexity: 944
Canonical SMILES: CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)O)(C(=O)
C)O)N)O.Cl
Isomeric SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5O)
O)(C(=O)C)O)N)O.Cl
InChI: InChI=1S/C26H27NO10.ClH/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33;/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3;1H/t9?,13?,15-,16?,21?,26-;/m0./s1
InChIKey: WYVYEIZFAUXWKW-TTYSTUCBSA-N
Structure of Karminomycin hydrochloride (CAS NO.52794-97-5):

Toxicity Data With Reference

1.	mmo-sat 400 ng/plate	ENMUDM Environmental Mutagenesis. 8 (1986),797.
2.	orl-rat LD50:23,000 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
3.	ivn-rat LD50:860 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
4.	orl-mus LD50:7300 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
5.	ivn-mus LD50:3400 mg/kg	ANTBAL Antibiotiki. 27 (1982),57.
6.	orl-dog LD50:3000 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
7.	ivn-dog LD50:1000 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
8.	orl-rbt LD50:12,000 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
9.	ivn-rbt LD50:1500 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
10.	orl-gpg LD50:3000 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.
11.	ivn-gpg LD50:1400 µg/kg	ANTBAL Antibiotiki. 23 (1978),128.

Safety Profile

Poison by ingestion and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of HCl. See also KARMINOMYCIN.

Specification

Karminomycin hydrochloride , its cas register number is 52794-97-5. It also can be called 1S,3S)-3-Acetyl-1,2,3,4,6,11-hexahydro-3,5,10,12-tetrahydroxy-6,11-dioxo-1-naphthacenyl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside hydrochloride ; 5,12-Naphthacenedione, 8-acetyl-10-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-1,6,8,11-tetrahydroxy-, hydrochloride, (8S-cis)- ; Carminomycin hydrochloride ; Carubicin HCl and Carubicin hydrochloride . When Karminomycin hydrochloride (CAS NO.52794-97-5) is heated to decomposition, it emits toxic fumes of HCl.