Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C42H30N6O12 |
| Molecular Weight | 810.7206 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(O[C@@H]1[C@H](OC(=O)C2=CN=CC=C2)[C@H](OC(=O)C3=CN=CC=C3)[C@@H](OC(=O)C4=CN=CC=C4)[C@H](OC(=O)C5=CN=CC=C5)[C@H]1OC(=O)C6=CN=CC=C6)C7=CN=CC=C7
InChI
InChIKey=MFZCIDXOLLEMOO-GYSGTQPESA-N
InChI=1S/C42H30N6O12/c49-37(25-7-1-13-43-19-25)55-31-32(56-38(50)26-8-2-14-44-20-26)34(58-40(52)28-10-4-16-46-22-28)36(60-42(54)30-12-6-18-48-24-30)35(59-41(53)29-11-5-17-47-23-29)33(31)57-39(51)27-9-3-15-45-21-27/h1-24,31-36H/t31-,32-,33-,34+,35-,36-
| Molecular Formula | C42H30N6O12 |
| Molecular Weight | 810.7206 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:01:35 UTC 2023
by
admin
on
Fri Dec 15 15:01:35 UTC 2023
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| Record UNII |
A99MK953KZ
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| Record Status |
Validated (UNII)
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| Record Version |
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| Classification Tree | Code System | Code | ||
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WHO-VATC |
QC04AC03
Created by
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DSLD |
1075 (Number of products:51)
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admin on Fri Dec 15 15:01:35 UTC 2023 , Edited by admin on Fri Dec 15 15:01:35 UTC 2023
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NCI_THESAURUS |
C98151
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WHO-ATC |
C04AC03
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| Code System | Code | Type | Description | ||
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SUB08192MIG
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49506
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DTXSID2023147
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33064
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31699
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DB08949
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1445
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6556-11-2
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229-485-9
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100000088899
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A99MK953KZ
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A99MK953KZ
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m6292
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admin on Fri Dec 15 15:01:35 UTC 2023 , Edited by admin on Fri Dec 15 15:01:35 UTC 2023
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1160
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CHEMBL1094982
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50134
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27604
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Inositol nicotinate
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C75996
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admin on Fri Dec 15 15:01:35 UTC 2023 , Edited by admin on Fri Dec 15 15:01:35 UTC 2023
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