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

Details

Stereochemistry ABSOLUTE
Molecular Formula C9H18N2O2S
Molecular Weight 218.316
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIAMINOBIOTIN

SMILES

N[C@H]1CS[C@@H](CCCCC(O)=O)[C@H]1N

InChI

InChIKey=JKNCSZDPWAVQAI-ZKWXMUAHSA-N
InChI=1S/C9H18N2O2S/c10-6-5-14-7(9(6)11)3-1-2-4-8(12)13/h6-7,9H,1-5,10-11H2,(H,12,13)/t6-,7-,9-/m0/s1

HIDE SMILES / InChI

Molecular Formula C9H18N2O2S
Molecular Weight 218.316
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:36:27 GMT 2023
Edited
by admin
on Sat Dec 16 11:36:27 GMT 2023
Record UNII
643W0F9MUD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIAMINOBIOTIN
Common Name English
2-THIOPHENEPENTANOIC ACID, 3,4-DIAMINOTETRAHYDRO-, (2S,3S,4R)-
Systematic Name English
2-THIOPHENEPENTANOIC ACID, 3,4-DIAMINOTETRAHYDRO-, (2S-(2.ALPHA.,3.ALPHA.,4.ALPHA.))-
Systematic Name English
2-THIOPHENEVALERIC ACID, 3,4-DIAMINOTETRAHYDRO-, (2S,3S,4R)-
Systematic Name English
Code System Code Type Description
CAS
22342-46-7
Created by admin on Sat Dec 16 11:36:27 GMT 2023 , Edited by admin on Sat Dec 16 11:36:27 GMT 2023
PRIMARY
EPA CompTox
DTXSID30364425
Created by admin on Sat Dec 16 11:36:27 GMT 2023 , Edited by admin on Sat Dec 16 11:36:27 GMT 2023
PRIMARY
PUBCHEM
1563331
Created by admin on Sat Dec 16 11:36:27 GMT 2023 , Edited by admin on Sat Dec 16 11:36:27 GMT 2023
PRIMARY
FDA UNII
643W0F9MUD
Created by admin on Sat Dec 16 11:36:27 GMT 2023 , Edited by admin on Sat Dec 16 11:36:27 GMT 2023
PRIMARY