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Adechlorin

CAT: 0931-T23633-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T23633-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
96328-17-5
Target
Others
Related Pathways
Others
Bioactivity
Adechlorin is a synergistic antitumor and/or antiviral antibiotic. It potentiates the effects of other antitumor or antiviral compounds through the inhibition of key enzymes.
Smiles
Cl[C@H]1[C@H](N2C3=C(N=C2)[C@H](O)CN=CN3)O[C@H](CO)[C@H]1O
Molecular Formula
C11H15ClN4O4
Molecular Weight
302.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adechlorin

Adechlorin is an imidazodiazepine.

CAS Number96328-17-5
PubChem CID125913
IUPAC Name(8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
Molecular FormulaC11H15ClN4O4
Molecular Weight302.71
XLogP-1.8
Topological Polar Surface Area112
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count20
Formal Charge0
Complexity387
SMILES
C1[C@H](C2=C(NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)Cl)O
InChI
InChI=1S/C11H15ClN4O4/c12-7-9(19)6(2-17)20-11(7)16-4-15-8-5(18)1-13-3-14-10(8)16/h3-7,9,11,17-19H,1-2H2,(H,13,14)/t5-,6-,7-,9-,11-/m1/s1
InChIKey
JYWSHPMZFVPRRF-AMFMTJJISA-N
Chemical Structure
2D Structure
2D structure of Adechlorin
CAS: 96328-17-5
CID: 125913
Formula: C11H15ClN4O4
MW: 302.71
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight302.71
XLogP3-1.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass302.0781827
Monoisotopic Mass302.0781827
Topological Polar Surface Area112 Ų
Heavy Atom Count20
Formal Charge0
Complexity387
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5773399Adechlorin

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