Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H27BrN4O15S |
Molecular Weight | 675.415 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(=O)(=O)OCCN(CCBr)C1=C(C=C(C=C1C(=O)NCCO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)[N+]([O-])=O)[N+]([O-])=O
InChI
InChIKey=UHZXHGOIRRTEMH-SAGLZJIZSA-N
InChI=1S/C20H27BrN4O15S/c1-41(36,37)39-7-5-23(4-2-21)13-11(8-10(24(32)33)9-12(13)25(34)35)18(29)22-3-6-38-20-16(28)14(26)15(27)17(40-20)19(30)31/h8-9,14-17,20,26-28H,2-7H2,1H3,(H,22,29)(H,30,31)/t14-,15-,16+,17-,20+/m0/s1
Molecular Formula | C20H27BrN4O15S |
Molecular Weight | 675.415 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:16:38 GMT 2023
by
admin
on
Sat Dec 16 16:16:38 GMT 2023
|
Record UNII |
U0ORD4WY8S
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
1012063-54-5
Created by
admin on Sat Dec 16 16:16:38 GMT 2023 , Edited by admin on Sat Dec 16 16:16:38 GMT 2023
|
PRIMARY | |||
|
U0ORD4WY8S
Created by
admin on Sat Dec 16 16:16:38 GMT 2023 , Edited by admin on Sat Dec 16 16:16:38 GMT 2023
|
PRIMARY | |||
|
146675105
Created by
admin on Sat Dec 16 16:16:38 GMT 2023 , Edited by admin on Sat Dec 16 16:16:38 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> METABOLITE |
MAJOR
PLASMA
|
||
|
PARENT -> METABOLITE |
MAJOR
PLASMA; URINE
|
||
|
PARENT -> METABOLITE |
MAJOR
URINE
|