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Chemical structure of Epianhydrotetracycline (hydrochloride)

GC45447

Epianhydrotetracycline (hydrochloride)

Also known as (4R,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride

Epianhydrotetracycline (hydrochloride) is a degradation product of the antibiotic Tetracycline

ChemicalCAS4465-65-0MW462.9FormulaC22H22N2O7·HCl
CAS number
4465-65-0
Molecular weight
462.9
Formula
C22H22N2O7·HCl
Solubility
DMF： 10 mg/ml,DMSO： 20 mg/ml,Ethanol： 2 mg/ml,PBS (pH 7·2)： 0·25 mg/ml
InChIKey
SPFAOPCHYIJPHJ-MOMXNFOMSA-N
Catalogue number
GC45447
Brand
GLPBIO
Computed properties PubChem CID 54682545 · TPSA 161 Ų · H-bond donors 6 · H-bond acceptors 8
TPSA
161 Ų
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
32

SMILES CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)N(C)C)O)O.Cl

Computed descriptors from PubChem (CID 54682545), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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