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Quinocarcin

CAT: 0013-GTR19262877-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19262877-02Size:10 mg
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Description
Quinocarcin (DC-52) is a potent antitumor antibiotic. It inhibits the synthesis of DNA, RNA, and proteins in Bacillus subtilis.
CAS Number
84573-33-1
Field of Research
Infectious Disease & Virology
Smiles
C (O) (=O) [C@H]1[C@@]2 ([C@]3 (N4[C@] (C=5C (C3) =CC=CC5OC) (CO[C@@]4 ([C@@] (N2C) (C1) [H]) [H]) [H]) [H]) [H]
Molecular Formula
C18H22N2O4
Molecular Weight
330.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(-)-Quinocarcin

DC-52 is a member of isoquinolines.

CAS Number84573-33-1
PubChem CID158486
IUPAC Name(1S,2R,3R,5S,6R,9R)-11-methoxy-18-methyl-7-oxa-17,18-diazapentacyclo[7.7.1.12,5.06,17.010,15]octadeca-10(15),11,13-triene-3-carboxylic acid
Molecular FormulaC18H22N2O4
Molecular Weight330.4
XLogP-1
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity543
SMILES
CN1[C@H]2C[C@H]([C@@H]1[C@@H]3CC4=C([C@H]5N3[C@@H]2OC5)C(=CC=C4)OC)C(=O)O
InChI
InChI=1S/C18H22N2O4/c1-19-12-7-10(18(21)22)16(19)11-6-9-4-3-5-14(23-2)15(9)13-8-24-17(12)20(11)13/h3-5,10-13,16-17H,6-8H2,1-2H3,(H,21,22)/t10-,11+,12+,13+,16-,17-/m1/s1
InChIKey
VOUMVHRRAVBACH-RXCQEBQVSA-N
Chemical Structure
2D Structure
2D structure of (-)-Quinocarcin
CAS: 84573-33-1
CID: 158486
Formula: C18H22N2O4
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP3-1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass330.15795719
Monoisotopic Mass330.15795719
Topological Polar Surface Area62.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity543
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
581279Quinocarcin
463377(-) -Quinocarcin
TRC-Q696550-25MG(-)-Quinocarcin

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