U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry EPIMERIC
Molecular Formula C14H19N3O8S2
Molecular Weight 421.446
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SULFO-NHS-BIOTIN

SMILES

[H][C@]12CS[C@@H](CCCCC(=O)ON3C(=O)CC(C3=O)S(O)(=O)=O)[C@@]1([H])NC(=O)N2

InChI

InChIKey=YCZTUBHUGXHSKE-VVCAKUBGSA-N
InChI=1S/C14H19N3O8S2/c18-10-5-9(27(22,23)24)13(20)17(10)25-11(19)4-2-1-3-8-12-7(6-26-8)15-14(21)16-12/h7-9,12H,1-6H2,(H2,15,16,21)(H,22,23,24)/t7-,8-,9?,12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H19N3O8S2
Molecular Weight 421.446
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 3 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:14:33 GMT 2023
Edited
by admin
on Sat Dec 16 14:14:33 GMT 2023
Record UNII
7LU0228RF4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SULFO-NHS-BIOTIN
Common Name English
SULFOSUCCINIMIDOBIOTIN
Common Name English
3-PYRROLIDINESULFONIC ACID, 1-((5-((3AS,4S,6AR)-HEXAHYDRO-2-OXO-1H-THIENO(3,4-D)IMIDAZOL-4-YL)-1-OXOPENTYL)OXY)-2,5-DIOXO-
Systematic Name English
1H-THIENO(3,4-D)IMIDAZOLE-4-PENTANOIC ACID, HEXAHYDRO-2-OXO-, 2,5-DIOXO-3-SULFO-1-PYRROLIDINYL ESTER, (3AS,4S,6AR)-
Systematic Name English
Code System Code Type Description
FDA UNII
7LU0228RF4
Created by admin on Sat Dec 16 14:14:33 GMT 2023 , Edited by admin on Sat Dec 16 14:14:33 GMT 2023
PRIMARY
PUBCHEM
18632835
Created by admin on Sat Dec 16 14:14:33 GMT 2023 , Edited by admin on Sat Dec 16 14:14:33 GMT 2023
PRIMARY
CAS
190598-55-1
Created by admin on Sat Dec 16 14:14:33 GMT 2023 , Edited by admin on Sat Dec 16 14:14:33 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT