Details
Stereochemistry | ABSOLUTE |
Molecular Formula | 2C17H19NO3.H2O4S |
Molecular Weight | 668.754 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.[H][C@@]12OC3=C4C(C[C@@]5([H])N(C)CC[C@@]14[C@@]5([H])C=C[C@@H]2O)=CC=C3O.[H][C@@]67OC8=C9C(C[C@@]%10([H])N(C)CC[C@@]69[C@@]%10([H])C=C[C@@H]7O)=CC=C8O
InChI
InChIKey=USAHOPJHPJHUNS-IFCNUISUSA-N
InChI=1S/2C17H19NO3.H2O4S/c2*1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-5(2,3)4/h2*2-5,10-11,13,16,19-20H,6-8H2,1H3;(H2,1,2,3,4)/t2*10-,11+,13-,16-,17-;/m00./s1
Molecular Formula | C17H19NO3 |
Molecular Weight | 285.3377 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:07:33 UTC 2023
by
admin
on
Fri Dec 15 16:07:33 UTC 2023
|
Record UNII |
DY70C97N30
|
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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EPA PESTICIDE CODE |
600603
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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NCI_THESAURUS |
C67413
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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Code System | Code | Type | Description | ||
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DTXSID4023830
Created by
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11441
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admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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DY70C97N30
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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C91049
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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5462349
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m7631
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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200-582-8
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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100000076239
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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64-31-3
Created by
admin on Fri Dec 15 16:07:33 UTC 2023 , Edited by admin on Fri Dec 15 16:07:33 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE | |||
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SUBSTANCE->BASIS OF STRENGTH |
Related Record | Type | Details | ||
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ACTIVE MOIETY |