Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H25N3O2.C4H4O4 |
| Molecular Weight | 455.5036 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.[H][C@@]12CC3=CNC4=C3C(=CC=C4)C1=C[C@H](CN2C)C(=O)N[C@@H](CC)CO
InChI
InChIKey=NOFOWWRHEPHDCY-DAUURJMHSA-N
InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1
Approval Year
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NCI_THESAURUS |
C47795
Created by
admin on Fri Dec 15 15:25:16 UTC 2023 , Edited by admin on Fri Dec 15 15:25:16 UTC 2023
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DTXSID1023283
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1430000
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m7412
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5281072
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IR84JPZ1RK
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C47618
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SUB03247MIG
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57432-61-8
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100000092594
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260-734-4
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD
