Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H26N2O4.C2H2O4 |
Molecular Weight | 472.4877 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C(O)=O.[H][C@@]12C[C@]3([H])C(=CO[C@@H](C)[C@]3([H])CN1CCC4=C2NC5=C4C=C(OC)C=C5)C(=O)OC
InChI
InChIKey=PAUMEXDEFPNOBG-WUXOJFDOSA-N
InChI=1S/C22H26N2O4.C2H2O4/c1-12-17-10-24-7-6-14-16-8-13(26-2)4-5-19(16)23-21(14)20(24)9-15(17)18(11-28-12)22(25)27-3;3-1(4)2(5)6/h4-5,8,11-12,15,17,20,23H,6-7,9-10H2,1-3H3;(H,3,4)(H,5,6)/t12-,15-,17-,20-;/m0./s1
Molecular Formula | C22H26N2O4 |
Molecular Weight | 382.4528 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C2H2O4 |
Molecular Weight | 90.0349 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:37:53 GMT 2023
by
admin
on
Sat Dec 16 12:37:53 GMT 2023
|
Record UNII |
04BAC87S7F
|
Record Status |
Validated (UNII)
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Record Version |
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-
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04BAC87S7F
Created by
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68135-10-4
Created by
admin on Sat Dec 16 12:37:53 GMT 2023 , Edited by admin on Sat Dec 16 12:37:53 GMT 2023
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123133486
Created by
admin on Sat Dec 16 12:37:53 GMT 2023 , Edited by admin on Sat Dec 16 12:37:53 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |