Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C16H16ClN5O.ClH.H2O |
| Molecular Weight | 384.26 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.CC1(C)CN2C(=N1)N(CC3=CC=C(Cl)C=C3)C4=C(N=CN4)C2=O
InChI
InChIKey=WFFDGXIZQYRZCV-UHFFFAOYSA-N
InChI=1S/C16H16ClN5O.ClH.H2O/c1-16(2)8-22-14(23)12-13(19-9-18-12)21(15(22)20-16)7-10-3-5-11(17)6-4-10;;/h3-6,9H,7-8H2,1-2H3,(H,18,19);1H;1H2
| 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 | C16H16ClN5O |
| Molecular Weight | 329.784 |
| 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 18:17:26 GMT 2025
by
admin
on
Mon Mar 31 18:17:26 GMT 2025
|
| Record UNII |
6C4UD6155A
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Preferred Name | English | ||
|
Official Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C319
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
CHEMBL18531
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
PRIMARY | |||
|
DTXSID10228192
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
PRIMARY | |||
|
S-101
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
PRIMARY | |||
|
77482-47-4
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
PRIMARY | |||
|
23724904
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
PRIMARY | |||
|
6C4UD6155A
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
PRIMARY | |||
|
C81674
Created by
admin on Mon Mar 31 18:17:26 GMT 2025 , Edited by admin on Mon Mar 31 18:17:26 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |