Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H23NO3.C12H22O12 |
Molecular Weight | 659.676 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](CCC1=CC=C(O)C=C1)NCCC2=CC(O)=C(O)C=C2.[H][C@@]3(O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)C(O)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O
InChI
InChIKey=XSGHHWMGNIMZCA-QCCNJQOUSA-N
InChI=1S/C18H23NO3.C12H22O12/c1-13(2-3-14-4-7-16(20)8-5-14)19-11-10-15-6-9-17(21)18(22)12-15;13-1-3(15)10(7(18)8(19)11(21)22)24-12-9(20)6(17)5(16)4(2-14)23-12/h4-9,12-13,19-22H,2-3,10-11H2,1H3;3-10,12-20H,1-2H2,(H,21,22)/t13-;3-,4-,5+,6+,7-,8-,9-,10-,12+/m01/s1
Approval Year
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Official Name | English | ||
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Code | English | ||
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Code System | Code | Type | Description | ||
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100000141025
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY | |||
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CHEMBL1367478
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY | |||
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C175111
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY | |||
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20055401
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY | |||
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SUB90588
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY | |||
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129388-07-4
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY | |||
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0ASL272RF4
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY | |||
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CC-32
Created by
admin on Fri Dec 15 18:45:01 GMT 2023 , Edited by admin on Fri Dec 15 18:45:01 GMT 2023
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PRIMARY |
ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD