Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C10H14N2.C6H10O8 |
Molecular Weight | 534.6019 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNCC\C=C\C1=CN=CC=C1.CNCC\C=C\C2=CN=CC=C2.O[C@@H]([C@@H](O)[C@H](O)C(O)=O)[C@@H](O)C(O)=O
InChI
InChIKey=CIMKLHOSRSGWFB-MWCLJRRUSA-N
InChI=1S/2C10H14N2.C6H10O8/c2*1-11-7-3-2-5-10-6-4-8-12-9-10;7-1(3(9)5(11)12)2(8)4(10)6(13)14/h2*2,4-6,8-9,11H,3,7H2,1H3;1-4,7-10H,(H,11,12)(H,13,14)/b2*5-2+;/t;;1-,2+,3+,4-
Molecular Formula | C10H14N2 |
Molecular Weight | 162.2316 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C6H10O8 |
Molecular Weight | 210.1388 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 4 / 4 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:32:32 UTC 2023
by
admin
on
Fri Dec 15 16:32:32 UTC 2023
|
Record UNII |
VAS2V13A9H
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Systematic Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
NCI_THESAURUS |
C73579
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
675132-86-2
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
PRIMARY | |||
|
300000044442
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
PRIMARY | |||
|
VAS2V13A9H
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
PRIMARY | |||
|
46174135
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
PRIMARY | |||
|
QQ-103
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
PRIMARY | |||
|
C72425
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
PRIMARY | |||
|
CHEMBL132966
Created by
admin on Fri Dec 15 16:32:32 UTC 2023 , Edited by admin on Fri Dec 15 16:32:32 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |