Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C10H14N2.C7H6O3 |
| Molecular Weight | 300.3523 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=C(O)C=CC=C1.CN2CCC[C@H]2C3=CN=CC=C3
InChI
InChIKey=AIBWPBUAKCMKNS-PPHPATTJSA-N
InChI=1S/C10H14N2.C7H6O3/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;8-6-4-2-1-3-5(6)7(9)10/h2,4,6,8,10H,3,5,7H2,1H3;1-4,8H,(H,9,10)/t10-;/m0./s1
| Molecular Formula | C7H6O3 |
| Molecular Weight | 138.1207 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C10H14N2 |
| Molecular Weight | 162.2316 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:48:41 UTC 2023
by
admin
on
Fri Dec 15 16:48:41 UTC 2023
|
| Record UNII |
744Q1CL77H
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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29790-52-1
Created by
admin on Fri Dec 15 16:48:41 UTC 2023 , Edited by admin on Fri Dec 15 16:48:41 UTC 2023
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249-852-7
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admin on Fri Dec 15 16:48:41 UTC 2023 , Edited by admin on Fri Dec 15 16:48:41 UTC 2023
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DTXSID5075319
Created by
admin on Fri Dec 15 16:48:41 UTC 2023 , Edited by admin on Fri Dec 15 16:48:41 UTC 2023
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m7879
Created by
admin on Fri Dec 15 16:48:41 UTC 2023 , Edited by admin on Fri Dec 15 16:48:41 UTC 2023
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PRIMARY | Merck Index | ||
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20056613
Created by
admin on Fri Dec 15 16:48:41 UTC 2023 , Edited by admin on Fri Dec 15 16:48:41 UTC 2023
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744Q1CL77H
Created by
admin on Fri Dec 15 16:48:41 UTC 2023 , Edited by admin on Fri Dec 15 16:48:41 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |