Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C38H52N6O2.CH4O3S.H2O |
Molecular Weight | 738.979 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CS(O)(=O)=O.[H][C@@]12C[C@@H](C)[C@H](C(=O)CN3CCN(CC3)C4=CC(=NC(=N4)N5CCCC5)N6CCCC6)[C@@]1(C)CC=C7[C@@]2([H])CCC8=CC(=O)C=C[C@]78C
InChI
InChIKey=NTRLSGIBUFLYST-VFTWSTDHSA-N
InChI=1S/C38H52N6O2.CH4O3S.H2O/c1-26-22-31-29-9-8-27-23-28(45)10-12-37(27,2)30(29)11-13-38(31,3)35(26)32(46)25-41-18-20-43(21-19-41)34-24-33(42-14-4-5-15-42)39-36(40-34)44-16-6-7-17-44;1-5(2,3)4;/h10-12,23-24,26,29,31,35H,4-9,13-22,25H2,1-3H3;1H3,(H,2,3,4);1H2/t26-,29-,31+,35-,37+,38+;;/m1../s1
Approval Year
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C211
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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Code System | Code | Type | Description | ||
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CHEMBL1908849
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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PRIMARY | |||
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59827
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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PRIMARY | RxNorm | ||
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149042-61-5
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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HXS259UWKW
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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6918013
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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PRIMARY | |||
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Z-53
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admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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PRIMARY | |||
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SUB04886MIG
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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PRIMARY | |||
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C152659
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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111793-42-1
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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m10889
Created by
admin on Sat Dec 16 08:53:39 UTC 2023 , Edited by admin on Sat Dec 16 08:53:39 UTC 2023
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PRIMARY | Merck Index |
ACTIVE MOIETY
SUBSTANCE RECORD