Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C25H31N5O4.C4H4O4 |
Molecular Weight | 581.6169 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.COC1=CC=C(C=C1CO)C2=NC3=NC(=NC(N4CCOC[C@@H]4C)=C3C=C2)N5CCOC[C@@H]5C
InChI
InChIKey=XVEFUQSJWHPIAS-PDMJLPKPSA-N
InChI=1S/C25H31N5O4.C4H4O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2;5-3(6)1-2-4(7)8/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t16-,17-;/m0./s1
Approval Year
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Systematic Name | English |
Code System | Code | Type | Description | ||
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44537932
Created by
admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
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PRIMARY | |||
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300000038499
Created by
admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
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PRIMARY | |||
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1201799-05-4
Created by
admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
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PRIMARY | |||
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R339J08R6U
Created by
admin on Fri Dec 15 18:17:51 GMT 2023 , Edited by admin on Fri Dec 15 18:17:51 GMT 2023
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PRIMARY |
PARENT (SALT/SOLVATE)
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD