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