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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23N2O7S.Na
Molecular Weight 446.45
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FURBUCILLIN SODIUM

SMILES

[Na+].[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=BNMMHBZPTIHTCP-XFAPPKAWSA-M
InChI=1S/C19H24N2O7S.Na/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);/q;+1/p-1/t11-,12-,13+,16-;/m1./s1

HIDE SMILES / InChI

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H23N2O7S
Molecular Weight 423.46
Charge -1
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:11:34 UTC 2023
Edited
by admin
on Sat Dec 16 18:11:34 UTC 2023
Record UNII
5P7Z26J775
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FURBUCILLIN SODIUM
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 6-((2-((2-FURANYLCARBONYL)OXY)-4-METHYL-1-OXOPENTYL)AMINO)-3,3-DIMETHYL-7-OXO-, MONOSODIUM SALT, (2S-(2.ALPHA.,5.ALPHA.,6.BETA.(S*)))-
Systematic Name English
Furbucillin sodium [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
100000177638
Created by admin on Sat Dec 16 18:11:34 UTC 2023 , Edited by admin on Sat Dec 16 18:11:34 UTC 2023
PRIMARY
FDA UNII
5P7Z26J775
Created by admin on Sat Dec 16 18:11:34 UTC 2023 , Edited by admin on Sat Dec 16 18:11:34 UTC 2023
PRIMARY
PUBCHEM
46835904
Created by admin on Sat Dec 16 18:11:34 UTC 2023 , Edited by admin on Sat Dec 16 18:11:34 UTC 2023
PRIMARY
CAS
37760-01-3
Created by admin on Sat Dec 16 18:11:34 UTC 2023 , Edited by admin on Sat Dec 16 18:11:34 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY