Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | 2C17H16N2O3S.2ClH.H2O |
| Molecular Weight | 747.708 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.Cl.NCCS(=O)(=O)C1=CC(=CC2=C1C=CN=C2)C3=CC=C(O)C=C3.NCCS(=O)(=O)C4=CC(=CC5=C4C=CN=C5)C6=CC=C(O)C=C6
InChI
InChIKey=AKWVMTIDCOFUIQ-UHFFFAOYSA-N
InChI=1S/2C17H16N2O3S.2ClH.H2O/c2*18-6-8-23(21,22)17-10-13(12-1-3-15(20)4-2-12)9-14-11-19-7-5-16(14)17;;;/h2*1-5,7,9-11,20H,6,8,18H2;2*1H;1H2
| Molecular Formula | C17H16N2O3S |
| Molecular Weight | 328.386 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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
Mon Mar 31 23:01:14 GMT 2025
by
admin
on
Mon Mar 31 23:01:14 GMT 2025
|
| Record UNII |
1LUL7UK34T
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
Download
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Systematic Name | English | ||
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Preferred Name | English |
| Code System | Code | Type | Description | ||
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1000210-66-1
Created by
admin on Mon Mar 31 23:01:15 GMT 2025 , Edited by admin on Mon Mar 31 23:01:15 GMT 2025
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PRIMARY | |||
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1LUL7UK34T
Created by
admin on Mon Mar 31 23:01:15 GMT 2025 , Edited by admin on Mon Mar 31 23:01:15 GMT 2025
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PRIMARY | |||
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67330503
Created by
admin on Mon Mar 31 23:01:15 GMT 2025 , Edited by admin on Mon Mar 31 23:01:15 GMT 2025
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PRIMARY | |||
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1000210-65-0
Created by
admin on Mon Mar 31 23:01:15 GMT 2025 , Edited by admin on Mon Mar 31 23:01:15 GMT 2025
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NON-SPECIFIC STOICHIOMETRY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
|
![Structure of 4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol dihydrochloride](/img/75e52afb-d23a-447a-9c2b-ea0adb4bbc1a.svg "Structure of 4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol dihydrochloride")
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |
|
![Structure of 4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol](/img/384efbee-2690-4f3c-a3f6-5cd74a1b046e.svg "Structure of 4-[5-[(2-Aminoethyl)sulfonyl]-7-isoquinolinyl]phenol")