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Substance Name: (((Amino-2-ethyl)-2-aminomethyl)-2-pyridine-6-carboxylhistidyl-gamma-(2-amino-2-deoxyglucosyl)glutamylglycylamino)-4-phenyl-1-aminoacridine
RN: 115416-34-7
InChIKey: XMWREJIIPYGZGZ-UHFFFAOYSA-N

Molecular Formula

  • C46-H54-N12-O9

Molecular Weight

  • 919.008
 
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Names and Synonyms

Name of Substance

  • (((Amino-2-ethyl)-2-aminomethyl)-2-pyridine-6-carboxylhistidyl-gamma-(2-amino-2-deoxyglucosyl)glutamylglycylamino)-4-phenyl-1-aminoacridine

Synonym

  • Agaglu

Systematic Name

  • Glycinamide, N-(6-(((2-aminoethyl)amino)methyl)-2-pyridinyl)-L-histidyl-N-(2-deoxy-D-glucose-2-C-yl)-L-glutaminyl-N-(4-(9-acridinylamino)phenyl)-

Registry Numbers

CAS Registry Number

  • 115416-34-7

System Generated Number

  • 0115416347

Structure Descriptors

InChI

1S/C46H54N12O9/c47-18-19-48-21-29-6-5-11-39(52-29)56-36(20-30-22-49-26-51-30)46(67)58-35(16-17-40(62)57-37(24-59)43(64)44(65)38(61)25-60)45(66)50-23-41(63)53-27-12-14-28(15-13-27)54-42-31-7-1-3-9-33(31)55-34-10-4-2-8-32(34)42/h1-15,22,24,26,35-38,43-44,48,60-61,64-65H,16-21,23,25,47H2,(H,49,51)(H,50,66)(H,52,56)(H,53,63)(H,54,55)(H,57,62)(H,58,67)

InChIKey

XMWREJIIPYGZGZ-UHFFFAOYSA-N

Smiles

c1(c2c(nc3c1cccc3)cccc2)Nc1ccc(cc1)NC(CNC([C@@H](CCC(=O)N[C@@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)C=O)NC([C@@H](Cc1cnc[nH]1)Nc1nc(ccc1)CNCCN)=O)=O)=O