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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N2O7S
Molecular Weight 424.468
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FURBUCILLIN

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@@H](CC(C)C)OC(=O)C3=CC=CO3)C(O)=O

InChI

InChIKey=FRUAVHAXMXYUGM-NFFDBFGFSA-N
InChI=1S/C19H24N2O7S/c1-9(2)8-11(28-18(26)10-6-5-7-27-10)14(22)20-12-15(23)21-13(17(24)25)19(3,4)29-16(12)21/h5-7,9,11-13,16H,8H2,1-4H3,(H,20,22)(H,24,25)/t11-,12-,13+,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H24N2O7S
Molecular Weight 424.468
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:36:09 UTC 2023
Edited
by admin
on Fri Dec 15 15:36:09 UTC 2023
Record UNII
104NHK678E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FURBUCILLIN
INN  
INN  
Official Name English
Furbucillin [WHO-DD]
Common Name English
6-((R)-2-HYDROXY-4-METHYLVALERAMIDO)-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID 2-FUROATE (ESTER)
Common Name English
furbucillin [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1500
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
Code System Code Type Description
EVMPD
SUB07836MIG
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
FDA UNII
104NHK678E
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
SMS_ID
100000080697
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
INN
3542
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
NCI_THESAURUS
C76855
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105074
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
PUBCHEM
9979762
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
CAS
54340-65-7
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
EPA CompTox
DTXSID901023898
Created by admin on Fri Dec 15 15:36:09 UTC 2023 , Edited by admin on Fri Dec 15 15:36:09 UTC 2023
PRIMARY
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SALT/SOLVATE -> PARENT
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ACTIVE MOIETY