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HX-600

CAT: 0013-GTR19209750-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209750-02Size:50 mg
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Description
HX-600
CAS Number
172705-89-4
Field of Research
Metabolism Research
Smiles
CN1C=2C (C (=NC=3C1=CC=CC3) C4=CC=C (C (O) =O) C=C4) =CC5=C (C2) C (C) (C) CCC5 (C) C
Molecular Formula
C29H30N2O2
Molecular Weight
438.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

HX 600

structure given in first source

CAS Number172705-89-4
PubChem CID128016
IUPAC Name4-(5,7,7,10,10-pentamethyl-8,9-dihydronaphtho[2,3-b][1,5]benzodiazepin-12-yl)benzoic acid
Molecular FormulaC29H30N2O2
Molecular Weight438.6
XLogP7.4
Topological Polar Surface Area52.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count33
Formal Charge0
Complexity778
SMILES
CC1(CCC(C2=C1C=C3C(=C2)N(C4=CC=CC=C4N=C3C5=CC=C(C=C5)C(=O)O)C)(C)C)C
InChI
InChI=1S/C29H30N2O2/c1-28(2)14-15-29(3,4)22-17-25-20(16-21(22)28)26(18-10-12-19(13-11-18)27(32)33)30-23-8-6-7-9-24(23)31(25)5/h6-13,16-17H,14-15H2,1-5H3,(H,32,33)
InChIKey
DLFBCHSYAZBTSS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of HX 600
CAS: 172705-89-4
CID: 128016
Formula: C29H30N2O2
MW: 438.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.6
XLogP37.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass438.230728204
Monoisotopic Mass438.230728204
Topological Polar Surface Area52.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity778
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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