Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C66H75Cl2N9O24.ClH |
Molecular Weight | 1485.715 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@@]2(O[C@H]1C[C@](C)(N)[C@H](O)[C@H](C)O1)[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OC3=C4OC5=CC=C(C=C5Cl)[C@@H](O)[C@@H](NC(=O)[C@@H](CC(C)C)NC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H]6C(C=C3OC7=C(Cl)C=C(C=C7)[C@@H](O)[C@@H]8NC(=O)[C@H](NC6=O)C9=CC(=C(O)C=C9)C%10=C(C=C(O)C=C%10O)[C@H](NC8=O)C(O)=O)=C4
InChI
InChIKey=LCTORFDMHNKUSG-XTTLPDOESA-N
InChI=1S/C66H75Cl2N9O24.ClH/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92;/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95);1H/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-;/m0./s1
Molecular Formula | C66H75Cl2N9O24 |
Molecular Weight | 1449.254 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:02:13 UTC 2023
by
admin
on
Fri Dec 15 15:02:13 UTC 2023
|
Record UNII |
71WO621TJD
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
536416
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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FDA ORPHAN DRUG |
374212
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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NCI_THESAURUS |
C61101
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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Code System | Code | Type | Description | ||
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m11386
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | Merck Index | ||
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DBSALT000300
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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66955
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | RxNorm | ||
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CHEMBL262777
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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100000090471
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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SUB05077MIG
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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1404-93-9
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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1709029
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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ALTERNATIVE | |||
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71WO621TJD
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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757377
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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6420023
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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C65207
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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1709007
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY | |||
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71WO621TJD
Created by
admin on Fri Dec 15 15:02:13 UTC 2023 , Edited by admin on Fri Dec 15 15:02:13 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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