Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H16ClNO3.ClH |
Molecular Weight | 342.217 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.OC1=CC=C(C=C1)[C@H]2CNCCC3=C(Cl)C(O)=C(O)C=C23
InChI
InChIKey=NLMPGIXLXSPNFS-BTQNPOSSSA-N
InChI=1S/C16H16ClNO3.ClH/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;/h1-4,7,13,18-21H,5-6,8H2;1H/t13-;/m1./s1
Molecular Formula | C16H16ClNO3 |
Molecular Weight | 305.756 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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
Sat Dec 16 10:12:31 UTC 2023
by
admin
on
Sat Dec 16 10:12:31 UTC 2023
|
Record UNII |
4WM5QUB9VQ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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4WM5QUB9VQ
Created by
admin on Sat Dec 16 10:12:31 UTC 2023 , Edited by admin on Sat Dec 16 10:12:31 UTC 2023
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125375-78-2
Created by
admin on Sat Dec 16 10:12:31 UTC 2023 , Edited by admin on Sat Dec 16 10:12:31 UTC 2023
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67785816
Created by
admin on Sat Dec 16 10:12:31 UTC 2023 , Edited by admin on Sat Dec 16 10:12:31 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |