Details
Stereochemistry | RACEMIC |
Molecular Formula | C16H14O3.C6H14N4O2 |
Molecular Weight | 428.4815 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 1 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@@H](CCCNC(N)=N)C(O)=O.CC(C(O)=O)C1=CC=CC(=C1)C(=O)C2=CC=CC=C2
InChI
InChIKey=BIIRZGCJVPVBQJ-VWMHFEHESA-N
InChI=1S/C16H14O3.C6H14N4O2/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12;7-4(5(11)12)2-1-3-10-6(8)9/h2-11H,1H3,(H,18,19);4H,1-3,7H2,(H,11,12)(H4,8,9,10)/t;4-/m.0/s1
Molecular Formula | C6H14N4O2 |
Molecular Weight | 174.201 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C16H14O3 |
Molecular Weight | 254.2806 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:59:04 UTC 2023
by
admin
on
Sat Dec 16 10:59:04 UTC 2023
|
Record UNII |
029SOQ8920
|
Record Status |
Validated (UNII)
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Record Version |
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-
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100000086462
Created by
admin on Sat Dec 16 10:59:04 UTC 2023 , Edited by admin on Sat Dec 16 10:59:04 UTC 2023
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67632359
Created by
admin on Sat Dec 16 10:59:04 UTC 2023 , Edited by admin on Sat Dec 16 10:59:04 UTC 2023
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138863-49-7
Created by
admin on Sat Dec 16 10:59:04 UTC 2023 , Edited by admin on Sat Dec 16 10:59:04 UTC 2023
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029SOQ8920
Created by
admin on Sat Dec 16 10:59:04 UTC 2023 , Edited by admin on Sat Dec 16 10:59:04 UTC 2023
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SUB02833MIG
Created by
admin on Sat Dec 16 10:59:04 UTC 2023 , Edited by admin on Sat Dec 16 10:59:04 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |