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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H24O3
Molecular Weight 204.3069
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DIBUPROL

SMILES

CCCCOCC(COCCCC)O

InChI

InChIKey=ABSDZQDZDHJMPX-UHFFFAOYSA-N
InChI=1S/C11H24O3/c1-3-5-7-13-9-11(12)10-14-8-6-4-2/h11-12H,3-10H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H24O3
Molecular Weight 204.3069
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Substance Class Chemical
Created
by admin
on Sat Jun 26 16:39:30 UTC 2021
Edited
by admin
on Sat Jun 26 16:39:30 UTC 2021
Record UNII
1627CY4S8U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DIBUPROL
INN  
INN  
Official Name English
1,3-DIBUTOXY-2-PROPANOL
Systematic Name English
NSC-71470
Code English
DIBUPROL [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C66913
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
Code System Code Type Description
ECHA (EC/EINECS)
218-697-7
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
CAS
2216-77-5
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
EPA CompTox
2216-77-5
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
PUBCHEM
16669
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
NCI_THESAURUS
C77839
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
ChEMBL
CHEMBL2106237
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
FDA UNII
1627CY4S8U
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
INN
3649
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
EVMPD
SUB07078MIG
Created by admin on Sat Jun 26 16:39:30 UTC 2021 , Edited by admin on Sat Jun 26 16:39:30 UTC 2021
PRIMARY
Related Record Type Details
ACTIVE MOIETY