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Liensinine Perchlorate

CAT: 1407-AB2511Size: 20 mgDry Ice: NoHazardous: No
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CAT#:1407-AB2511Size:20 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2385-63-9
Purity
98% (HPLC)
Molecular Formula
C37H43ClN2O10
Molecular Weight
711.205

Chemical Information

CID 71307566
CAS Number2385-63-9
PubChem CID71307566
IUPAC Name4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[[(1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]phenol;perchloric acid
Molecular FormulaC37H43ClN2O10
Molecular Weight711.2
Topological Polar Surface Area155
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Heavy Atom Count50
Formal Charge0
Complexity1030
SMILES
CN1CCC2=CC(=C(C=C2[C@H]1CC3=CC=C(C=C3)O)OC4=C(C=CC(=C4)C[C@@H]5C6=CC(=C(C=C6CCN5C)OC)OC)O)OC.OCl(=O)(=O)=O
InChI
InChI=1S/C37H42N2O6.ClHO4/c1-38-14-13-26-20-35(43-4)37(22-29(26)30(38)16-23-6-9-27(40)10-7-23)45-33-18-24(8-11-32(33)41)17-31-28-21-36(44-5)34(42-3)19-25(28)12-15-39(31)2;2-1(3,4)5/h6-11,18-22,30-31,40-41H,12-17H2,1-5H3;(H,2,3,4,5)/t30-,31-;/m1./s1
InChIKey
SBJXHMBOBQYZFA-XBPPRYKJSA-N
Chemical Structure
2D Structure
2D structure of CID 71307566
CAS: 2385-63-9
CID: 71307566
Formula: C37H43ClN2O10
MW: 711.2
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight711.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count9
Exact Mass710.2606233
Monoisotopic Mass710.2606233
Topological Polar Surface Area155 Ų
Heavy Atom Count50
Formal Charge0
Complexity1030
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes