Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C23H26N2O4.7H2O.H2O4S |
| Molecular Weight | 1013.113 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 12 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.O.O.OS(O)(=O)=O.[H][C@]12C[C@@]3([H])C4=CCO[C@@]5([H])CC(=O)N6C7=C(C=C(OC)C(OC)=C7)[C@@]1(CCN2C4)[C@]6([H])[C@@]35[H].[H][C@]89C[C@@]%10([H])C%11=CCO[C@@]%12([H])CC(=O)N%13C%14=C(C=C(OC)C(OC)=C%14)[C@@]8(CCN9C%11)[C@]%13([H])[C@@]%10%12[H]
InChI
InChIKey=PPJIVFYMRNHHTJ-JYGVWXPPSA-N
InChI=1S/2C23H26N2O4.H2O4S.7H2O/c2*1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18;1-5(2,3)4;;;;;;;/h2*3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3;(H2,1,2,3,4);7*1H2/t2*13-,18-,19-,21-,22-,23+;;;;;;;;/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 | C23H26N2O4 |
| Molecular Weight | 394.4635 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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 15:07:37 GMT 2023
by
admin
on
Fri Dec 15 15:07:37 GMT 2023
|
| Record UNII |
O900CDH328
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C221
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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5787-00-8
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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SUPERSEDED | |||
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m2734
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY | Merck Index | ||
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C87456
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY | |||
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60583-39-3
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admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY | |||
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DTXSID60973463
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admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY | |||
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16211665
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY | |||
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O900CDH328
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY | |||
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1311058
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY | RxNorm | ||
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O900CDH328
Created by
admin on Fri Dec 15 15:07:37 GMT 2023 , Edited by admin on Fri Dec 15 15:07:37 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE | |||
|
|
PARENT -> SALT/SOLVATE |
