Details
Stereochemistry | ACHIRAL |
Molecular Formula | C23H32N6O4S.ClH.3H2O |
Molecular Weight | 579.11 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.Cl.CCCC1=NC(C)=C2N1NC(=NC2=O)C3=CC(=CC=C3OCC)S(=O)(=O)N4CCN(CC)CC4
InChI
InChIKey=FBCDRHDULQYRTB-UHFFFAOYSA-N
InChI=1S/C23H32N6O4S.ClH.3H2O/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28;;;;/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30);1H;3*1H2
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 |
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 | C23H32N6O4S |
Molecular Weight | 488.603 |
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
Fri Dec 15 15:38:25 UTC 2023
by
admin
on
Fri Dec 15 15:38:25 UTC 2023
|
Record UNII |
5M8S2CU0TS
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Preferred Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Brand Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Brand Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Brand Name | English | ||
|
Common Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C2127
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
DBSALT001741
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
1309396
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
ALTERNATIVE | |||
|
m11394
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
100000088014
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
5M8S2CU0TS
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
330808-88-3
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
135413545
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
SUB20775
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
C76318
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
5M8S2CU0TS
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
CHEMBL1520
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
DTXSID30954704
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
SUB23180
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
307306
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
1711010
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY | |||
|
46295
Created by
admin on Fri Dec 15 15:38:25 UTC 2023 , Edited by admin on Fri Dec 15 15:38:25 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
|
||
|
ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
|
||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
|