Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H18N2O4.ClH |
| Molecular Weight | 386.829 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.COC(=O)[C@@H]1CC2=C(NC3=C2C=CC=C3)[C@@H](N1)C4=CC=C5OCOC5=C4
InChI
InChIKey=ROYJOKDTCKPQHK-NKGQWRHHSA-N
InChI=1S/C20H18N2O4.ClH/c1-24-20(23)15-9-13-12-4-2-3-5-14(12)21-19(13)18(22-15)11-6-7-16-17(8-11)26-10-25-16;/h2-8,15,18,21-22H,9-10H2,1H3;1H/t15-,18-;/m0./s1
| Molecular Formula | C20H18N2O4 |
| Molecular Weight | 350.3679 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | ( - ) |
| 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 20:02:02 GMT 2023
by
admin
on
Sat Dec 16 20:02:02 GMT 2023
|
| Record UNII |
QN4KWH46E2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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44250481
Created by
admin on Sat Dec 16 20:02:02 GMT 2023 , Edited by admin on Sat Dec 16 20:02:02 GMT 2023
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PRIMARY | |||
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QN4KWH46E2
Created by
admin on Sat Dec 16 20:02:02 GMT 2023 , Edited by admin on Sat Dec 16 20:02:02 GMT 2023
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1190238-20-0
Created by
admin on Sat Dec 16 20:02:02 GMT 2023 , Edited by admin on Sat Dec 16 20:02:02 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate](/img/771aa204-a9da-44cc-84f4-84bbba1454c7.svg "Structure of Methyl (1S,3S)-1-(1,3-benzodioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate")