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Berbamine

CAT: 0926-FB65811-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0926-FB65811-01Size:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
478-61-5
MDL Number
MFCD11501559
Smiles
CN1CCC2=CC (=C3C=C2[C@@H]1CC4=CC=C (C=C4) OC5=C (C=CC (=C5) C[C@@H]6C7=C (O3) C (=C (C=C7CCN6C) OC) OC) O) OC
Controlled
No

Chemical Information

(+)-Berbamine

Berbamine is a bisbenzylisoquinoline alkaloid and a member of isoquinolines.

CAS Number478-61-5
PubChem CID275182
IUPAC Name(1S,14R)-20,21,25-trimethoxy-15,30-dimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-9-ol
Molecular FormulaC37H40N2O6
Molecular Weight608.7
XLogP6.1
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count45
Formal Charge0
Complexity963
SMILES
CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@@H]6C7=C(O3)C(=C(C=C7CCN6C)OC)OC)O)OC
InChI
InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
InChIKey
DFOCUWZXJBAUSQ-URLMMPGGSA-N
Chemical Structure
2D Structure
2D structure of (+)-Berbamine
CAS: 478-61-5
CID: 275182
Formula: C37H40N2O6
MW: 608.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.7
XLogP36.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass608.28863700
Monoisotopic Mass608.28863700
Topological Polar Surface Area72.9 Ų
Heavy Atom Count45
Formal Charge0
Complexity963
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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MBS5750320Berbamine
HY-N0714RBerbamine (Standard)
HY-120997E6 Berbamine
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