Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C56H70N9O23S.Na |
Molecular Weight | 1292.256 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 15 / 15 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@@]12C[C@@H](O)CN1C(=O)[C@@]([H])(NC(=O)[C@H](C[C@@H](O)[C@@H](O)NC(=O)[C@]3([H])[C@@H](O)[C@@H](C)CN3C(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC2=O)[C@H](O)[C@@H](O)C4=CC(OS([O-])(=O)=O)=C(O)C=C4)[C@H](O)CC(N)=O)NC(=O)C5=CC=C(C=C5)C6=NOC(=C6)C7=CC=C(OCCCCC)C=C7)[C@@H](C)O
InChI
InChIKey=KOOAFHGJVIVFMZ-WZPXRXMFSA-M
InChI=1S/C56H71N9O23S.Na/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76;/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85);/q;+1/p-1/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+;/m0./s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C514
Created by
admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
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Code System | Code | Type | Description | ||
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IS1UP79R56
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DBSALT001165
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m7524
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admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
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PRIMARY | Merck Index | ||
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487070
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admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
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PRIMARY | RxNorm | ||
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IS1UP79R56
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CHEMBL457547
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100000089575
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SUB20666
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600520
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23666118
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208538-73-2
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1443384
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admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
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C66145
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PP-74
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admin on Fri Dec 15 15:37:46 UTC 2023 , Edited by admin on Fri Dec 15 15:37:46 UTC 2023
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ACTIVE MOIETY
SUBSTANCE RECORD