Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H19BrN2.C4H4O4 |
| Molecular Weight | 435.312 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN(C)CC[C@@H](C1=CC=C(Br)C=C1)C2=CC=CC=N2
InChI
InChIKey=SRGKFVAASLQVBO-DASCVMRKSA-N
InChI=1S/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t15-;/m0./s1
Approval Year
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| Classification Tree | Code System | Code | ||
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CFR |
21 CFR 341.12
Created by
admin on Fri Dec 15 14:58:49 UTC 2023 , Edited by admin on Fri Dec 15 14:58:49 UTC 2023
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NCI_THESAURUS |
C29578
Created by
admin on Fri Dec 15 14:58:49 UTC 2023 , Edited by admin on Fri Dec 15 14:58:49 UTC 2023
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| Code System | Code | Type | Description | ||
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2391-03-9
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C015121
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219-236-2
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DBSALT001411
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SUB01626MIG
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m2723
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admin on Fri Dec 15 14:58:49 UTC 2023 , Edited by admin on Fri Dec 15 14:58:49 UTC 2023
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PRIMARY | Merck Index | ||
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1178002
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100000087764
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BPA9UT29BS
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CHEMBL1201287
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C61706
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6433334
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BPA9UT29BS
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48936
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admin on Fri Dec 15 14:58:49 UTC 2023 , Edited by admin on Fri Dec 15 14:58:49 UTC 2023
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DTXSID6047818
Created by
admin on Fri Dec 15 14:58:49 UTC 2023 , Edited by admin on Fri Dec 15 14:58:49 UTC 2023
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ACTIVE MOIETY
PARENT (SALT/SOLVATE)
SUBSTANCE RECORD