Benzoylecgonine tetrahydrate
Product Code
NMIAD745C
CAS Number
Product Format
Neat
Molecular Formula
C16 H19 N O4 . 4[H2 O]
Molecular Weight
361.388
NMIA ISO 17034 Produced in accordance with internationally recognised requirements for the development and production of reference standards and for the competence of reference standard manufacturers. Find out more. ISO 17034
Product Information
Analyte Data
Analyte Name
Benzoylecgonine Tetrahydrate
CAS Number
5928-96-1
Molecular Formula
C16 H19 N O4 . 4[H2 O]
Molecular Weight
361.388
Accurate Mass
361.174
SMILES
O.O.O.O.CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O
InChI
, , , InChI=1S/C16H19NO4.4H2O/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10, 4*1H2/t11-,12+,13-,14+, , , /m0..../s1, /h2-6,11-14H,7-9H2,1H3,(H,18,19),
IUPAC
(1S,3S,4R,5R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid;tetrahydrate
Product Data
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
AUSTRALIA
Product Format
Neat