Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C48H58ClN5O9.H2O4S |
| Molecular Weight | 982.534 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@@]12N(C)C3=C(C=C(C(OC)=C3)[C@]4(C[C@@]5([H])CN(C[C@](O)(CC)C5)CCC6=C4NC7=CC=CC=C67)C(=O)OC)[C@@]18CCN9CC=C[C@@](CC)([C@@H](OC(C)=O)[C@@]2%10OC(=O)N(CCCl)C%10=O)[C@@]89[H]
InChI
InChIKey=LPDLEICKXUVJHW-QJILNLRNSA-N
InChI=1S/C48H58ClN5O9.H2O4S/c1-7-44(59)24-29-25-47(42(57)61-6,37-31(14-19-52(26-29)27-44)30-12-9-10-13-34(30)50-37)33-22-32-35(23-36(33)60-5)51(4)39-46(32)16-20-53-18-11-15-45(8-2,38(46)53)40(62-28(3)55)48(39)41(56)54(21-17-49)43(58)63-48;1-5(2,3)4/h9-13,15,22-23,29,38-40,50,59H,7-8,14,16-21,24-27H2,1-6H3;(H2,1,2,3,4)/t29-,38-,39+,40+,44-,45+,46+,47-,48-;/m0./s1
Approval Year
| Name | Type | Language | ||
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Official Name | English | ||
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Code | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C67422
Created by
admin on Fri Dec 15 15:19:12 UTC 2023 , Edited by admin on Fri Dec 15 15:19:12 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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C87288
Created by
admin on Fri Dec 15 15:19:12 UTC 2023 , Edited by admin on Fri Dec 15 15:19:12 UTC 2023
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PRIMARY | |||
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6917790
Created by
admin on Fri Dec 15 15:19:12 UTC 2023 , Edited by admin on Fri Dec 15 15:19:12 UTC 2023
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PRIMARY | |||
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CHEMBL2110758
Created by
admin on Fri Dec 15 15:19:12 UTC 2023 , Edited by admin on Fri Dec 15 15:19:12 UTC 2023
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PRIMARY | |||
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67699-41-6
Created by
admin on Fri Dec 15 15:19:12 UTC 2023 , Edited by admin on Fri Dec 15 15:19:12 UTC 2023
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PRIMARY | |||
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78NZ2PMP25
Created by
admin on Fri Dec 15 15:19:12 UTC 2023 , Edited by admin on Fri Dec 15 15:19:12 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD
