Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C18H37N5O9.5H2O4S |
Molecular Weight | 1425.421 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.OS(O)(=O)=O.[H][C@]3(O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O[C@@]2([H])O[C@H](CO)[C@@H](O)[C@H](N)[C@H]2O)[C@H]1O)O[C@H](CN)[C@@H](O)C[C@H]3N.[H][C@]6(O[C@@H]4[C@@H](N)C[C@@H](N)[C@H](O[C@@]5([H])O[C@H](CO)[C@@H](O)[C@H](N)[C@H]5O)[C@H]4O)O[C@H](CN)[C@@H](O)C[C@H]6N
InChI
InChIKey=NZKFUBQRAWPZJP-BXKLGIMVSA-N
InChI=1S/2C18H37N5O9.5H2O4S/c2*19-3-9-8(25)2-7(22)17(29-9)31-15-5(20)1-6(21)16(14(15)28)32-18-13(27)11(23)12(26)10(4-24)30-18;5*1-5(2,3)4/h2*5-18,24-28H,1-4,19-23H2;5*(H2,1,2,3,4)/t2*5-,6+,7+,8-,9+,10+,11-,12+,13+,14-,15+,16-,17+,18+;;;;;/m00...../s1
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C18H37N5O9 |
Molecular Weight | 467.5145 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 14 / 14 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:20:30 UTC 2023
by
admin
on
Fri Dec 15 16:20:30 UTC 2023
|
Record UNII |
HJT0RXD7JK
|
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 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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NCI_THESAURUS |
C2363
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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Code System | Code | Type | Description | ||
---|---|---|---|---|---|
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HJT0RXD7JK
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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PRIMARY | |||
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11954252
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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PRIMARY | |||
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79645-27-5
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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SUPERSEDED | |||
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m10917
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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PRIMARY | Merck Index | ||
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DTXSID50964441
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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49842-07-1
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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HJT0RXD7JK
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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CHEMBL1747
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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256-499-2
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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C893
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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100000091585
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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SUB04896MIG
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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PRIMARY | |||
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7276
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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PRIMARY | RxNorm | ||
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DBSALT000317
Created by
admin on Fri Dec 15 16:20:30 UTC 2023 , Edited by admin on Fri Dec 15 16:20:30 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |