Products for Research Use Only
RegisterLogin

Apoterramycin (An alpha-beta mixture)

CAT: 0572-TRC-A729040-25MGSize: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0572-TRC-A729040-25MGSize:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2869-27-4
Synonyms
3-[[4-Carbamoyl-2-(dimethylamino)-3,6-dihydroxy-5-oxo-3-cyclohexen-1-yl]hydroxymethyl]-1,8-dihydroxy-4-methyl-2-naphthoic Acid γ-Lactone; Apooxytetracycline
Hazard Statement
No Data Available
Smiles
OC1=C(C(O)=CC=C2)C2=C(C)C(C(C3C(N(C)C)C(O)=C(C(N)=O)C(C3O)=O)O4)=C1C4=O
Molecular Formula
C22H22N2O8
Molecular Weight
442.42
InChI
InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)20(32-22(12)31)13-15(24(2)3)17(27)14(21(23)30)19(29)18(13)28/h4-6,13,15,18,20,25-28H,1-3H3,(H2,23,30)
Additionnal Information
IUPAC name: 4-(4,5-dihydroxy-9-methyl-3-oxo-1,3-dihydronaphtho[2,3-c]furan-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohex-1-ene-1-carboxamide
Shipping Conditions
Room Temperature

Chemical Information

4-(4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide

Beta-Apooxytetracycline is a naphthofuran.

CAS Number2869-27-4
PubChem CID54710410
IUPAC Name4-(4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
Molecular FormulaC22H22N2O8
Molecular Weight442.4
XLogP2
Topological Polar Surface Area171
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity857
SMILES
CC1=C2C=CC=C(C2=C(C3=C1C(OC3=O)C4C(C(=C(C(=O)C4O)C(=O)N)O)N(C)C)O)O
InChI
InChI=1S/C22H22N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)20(32-22(12)31)13-15(24(2)3)17(27)14(21(23)30)19(29)18(13)28/h4-6,13,15,18,20,25-28H,1-3H3,(H2,23,30)
InChIKey
DRKMHDAKULCOKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4,5-dihydroxy-9-methyl-3-oxo-1H-benzo[f][2]benzofuran-1-yl)-3-(dimethylamino)-2,5-dihydroxy-6-oxocyclohexene-1-carboxamide
CAS: 2869-27-4
CID: 54710410
Formula: C22H22N2O8
MW: 442.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.4
XLogP32
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass442.13761566
Monoisotopic Mass442.13761566
Topological Polar Surface Area171 Ų
Heavy Atom Count32
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
TRC-D239660-10MGDeoxydihydroartemisinin (Alpha,Beta Mixture)
TRC-E933735-50MGEtoposide (alpha/beta Mixture)
D448355Dihydroartemisinin (alpha,beta Mixture)
TRC-F795750-10MGFructosyl Glycine Alpha/Beta Mixture (Mixture of Diastereomers)
TRC-F795750-100MGFructosyl Glycine Alpha/Beta Mixture (Mixture of Diastereomers)
TRC-M305400-1GMethyl Fucopyranoside (Alpha,Beta mixture)
TRC-H804508-1MG21-Hydroxyeplerenone (Alpha, Beta mixture)
TRC-B202985-50MGBenzocaine N-Glucoside (alpha/beta mixture)
TRC-N407770-50MGNicotinamide Riboside Triflate, alpha/beta mixture
TRC-S688990-100MGSulfamethoxazole N4-glucoside (alpha/beta mixture)

Alternative Products

CatalogName
441690Apoterramycin (An alpha-beta mixture)
sc-481126Apoterramycin (α-β mixture)
OR1078286-01Thujone (alpha- and beta- mixture)
MBS6120369-01Nicotinamide Riboside Triflate, alpha/beta mixture
105885-01Glycerol Formal (Mixture of Alpha & Beta Isomers)
466606-01Sulfamethoxazole N4-glucoside (alpha/beta mixture)
OR1077381Methylionone (mixture of alpha- and beta-, predominantly alpha-n-isomer)
MBS6070901-011-Fluoro D-Mannoheptulose (alpha,beta-Mixture)
MBS6095980-01Isopropyl N-Acetyl-beta-D-glucosamine (alpha/beta-Mixture)
MBS6050939-01Benzyl a-D-Glucopyranoside (An alpha-beta mixture containing about 80% alpha)

Popular Products