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Braco-19

CAT: 0127-BUP03340-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03340-06Size:100 mg
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CAS Number
351351-75-2
Purity
=95%
Smiles
O=C(NC=1C=CC2=C(N=C3C=C(C=CC3=C2NC4=CC=C(C=C4)N(C)C)NC(=O)CCN5CCCC5)C1)CCN6CCCC6

Chemical Information

Braco-19

N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide) is a member of acridines and a N-alkylpyrrolidine.

CAS Number351351-75-2
PubChem CID9808666
IUPAC NameN-[9-[4-(dimethylamino)anilino]-6-(3-pyrrolidin-1-ylpropanoylamino)acridin-3-yl]-3-pyrrolidin-1-ylpropanamide
Molecular FormulaC35H43N7O2
Molecular Weight593.8
XLogP4.5
Topological Polar Surface Area92.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count44
Formal Charge0
Complexity870
SMILES
CN(C)C1=CC=C(C=C1)NC2=C3C=CC(=CC3=NC4=C2C=CC(=C4)NC(=O)CCN5CCCC5)NC(=O)CCN6CCCC6
InChI
InChI=1S/C35H43N7O2/c1-40(2)28-11-7-25(8-12-28)38-35-29-13-9-26(36-33(43)15-21-41-17-3-4-18-41)23-31(29)39-32-24-27(10-14-30(32)35)37-34(44)16-22-42-19-5-6-20-42/h7-14,23-24H,3-6,15-22H2,1-2H3,(H,36,43)(H,37,44)(H,38,39)
InChIKey
RKPYSYRMIXRZJT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Braco-19
CAS: 351351-75-2
CID: 9808666
Formula: C35H43N7O2
MW: 593.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight593.8
XLogP34.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass593.34782364
Monoisotopic Mass593.34782364
Topological Polar Surface Area92.8 Ų
Heavy Atom Count44
Formal Charge0
Complexity870
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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Alternative Products

CatalogName
BA1599-5Braco-19
E1302-100mgBraco-19 trihydrochloride
HY-15523A-01Braco-19 (trihydrochloride)
5312/10BRACO 19 trihydrochloride 10 mg
5312/50BRACO 19 trihydrochloride 50 mg
ARC0416KU-19-19
138560-AFKeratin 19 (K19, Keratin-19, CK-19, Cytokeratin-19)

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