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

Details

Stereochemistry ABSOLUTE
Molecular Formula C8H17Br
Molecular Weight 193.125
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SEC-OCTYL BROMIDE, (-)-

SMILES

CCCCCC[C@@H](C)Br

InChI

InChIKey=FTJHYGJLHCGQHQ-MRVPVSSYSA-N
InChI=1S/C8H17Br/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C8H17Br
Molecular Weight 193.125
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Stereochemical aspects of the glutathione S-transferase-catalyzed conjugations of alkyl halides.
1987 Jan-Feb
Substance Class Chemical
Created
by admin
on Sat Dec 16 02:51:58 GMT 2023
Edited
by admin
on Sat Dec 16 02:51:58 GMT 2023
Record UNII
98QLJ13O36
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SEC-OCTYL BROMIDE, (-)-
Systematic Name English
OCTANE, 2-BROMO-, (2R)-
Systematic Name English
(R)-(-)-2-BROMOOCTANE
Systematic Name English
(R)-2-BROMOOCTANE
Systematic Name English
OCTANE, 2-BROMO-, (R)-
Systematic Name English
(-)-2-OCTYL BROMIDE
Systematic Name English
(R)-(-)-2-OCTYL BROMIDE
Systematic Name English
SEC-OCTYL BROMIDE (R)-FORM [MI]
Common Name English
OCTANE, 2-BROMO-, D-
Common Name English
OCTANE, 2-BROMO-, (R)-(-)-
Systematic Name English
(-)-2-BROMOOCTANE
Systematic Name English
Code System Code Type Description
PUBCHEM
12216026
Created by admin on Sat Dec 16 02:51:58 GMT 2023 , Edited by admin on Sat Dec 16 02:51:58 GMT 2023
PRIMARY
MERCK INDEX
m8124
Created by admin on Sat Dec 16 02:51:58 GMT 2023 , Edited by admin on Sat Dec 16 02:51:58 GMT 2023
PRIMARY Merck Index
CAS
5978-55-2
Created by admin on Sat Dec 16 02:51:58 GMT 2023 , Edited by admin on Sat Dec 16 02:51:58 GMT 2023
PRIMARY
FDA UNII
98QLJ13O36
Created by admin on Sat Dec 16 02:51:58 GMT 2023 , Edited by admin on Sat Dec 16 02:51:58 GMT 2023
PRIMARY