Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C18H18N2.C4H6O4 |
| Molecular Weight | 380.437 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCC(O)=O.C1[C@H](C2=NCCN2)C1(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChIKey=XFUIOIWYMHEPIE-PKLMIRHRSA-N
InChI=1S/C18H18N2.C4H6O4/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)13-16(18)17-19-11-12-20-17;5-3(6)1-2-4(7)8/h1-10,16H,11-13H2,(H,19,20);1-2H2,(H,5,6)(H,7,8)/t16-;/m1./s1
| Molecular Formula | C18H18N2 |
| Molecular Weight | 262.3489 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | C4H6O4 |
| Molecular Weight | 118.088 |
| 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 11:22:08 UTC 2023
by
admin
on
Sat Dec 16 11:22:08 UTC 2023
|
| Record UNII |
N4V6CH7BHK
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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N4V6CH7BHK
Created by
admin on Sat Dec 16 11:22:08 UTC 2023 , Edited by admin on Sat Dec 16 11:22:08 UTC 2023
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PRIMARY | |||
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2414472-87-8
Created by
admin on Sat Dec 16 11:22:08 UTC 2023 , Edited by admin on Sat Dec 16 11:22:08 UTC 2023
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PRIMARY | |||
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76969191
Created by
admin on Sat Dec 16 11:22:08 UTC 2023 , Edited by admin on Sat Dec 16 11:22:08 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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RACEMATE -> ENANTIOMER | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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