Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C27H28ClN6O5.K |
| Molecular Weight | 591.1 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[K+].CCCCC1=NC(Cl)=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4)C(=O)OC(C)OC(=O)OCC
InChI
InChIKey=LWBGIHXLGBYBNG-UHFFFAOYSA-N
InChI=1S/C27H28ClN6O5.K/c1-4-6-11-22-29-24(28)23(26(35)38-17(3)39-27(36)37-5-2)34(22)16-18-12-14-19(15-13-18)20-9-7-8-10-21(20)25-30-32-33-31-25;/h7-10,12-15,17H,4-6,11,16H2,1-3H3;/q-1;+1
| Molecular Formula | C27H29ClN6O5 |
| Molecular Weight | 553.009 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | K |
| Molecular Weight | 39.0983 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Originator
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P30556 Gene ID: 185.0 Gene Symbol: AGTR1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/8703667 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:12:10 GMT 2025
by
admin
on
Mon Mar 31 18:12:10 GMT 2025
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| Record UNII |
A6ZX50P1U1
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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154568-18-0
Created by
admin on Mon Mar 31 18:12:10 GMT 2025 , Edited by admin on Mon Mar 31 18:12:10 GMT 2025
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PRIMARY | |||
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A6ZX50P1U1
Created by
admin on Mon Mar 31 18:12:10 GMT 2025 , Edited by admin on Mon Mar 31 18:12:10 GMT 2025
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PRIMARY | |||
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23663417
Created by
admin on Mon Mar 31 18:12:10 GMT 2025 , Edited by admin on Mon Mar 31 18:12:10 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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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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