503293-95-6
(3S,4AS,6S,8AR)-2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, OCTAHYDRO-6-HYDROXY-, 3-ETHYL 2-METHYL ESTER
Name(3S,4AS,6S,8AR)-2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, OCTAHYDRO-6-HYDROXY-, 3-ETHYL 2-METHYL ESTER
1Identification
【Name】
(3S,4AS,6S,8AR)-2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, OCTAHYDRO-6-HYDROXY-, 3-ETHYL 2-METHYL ESTER
【CAS】
【MDL】
MFCD22631463
【English Synonyms】
【Formula】
C14 H23 N O5
【MolWeight】
285.338
【Inchi】
InChI=1S/C14H23NO5/c1-3-20-13(17)12-7-10-6-11(16)5-4-9(10)8-15(12)14(18)19-2/h9-12,16H,3-8H2,1-2H3/t9-,10+,11-,12-/m0/s1
【InChIKey】
InChIKey=JSKMPIBAINJONC-USZNOCQGSA-N
【SMILES】
CCOC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@H]2CN1C(=O)OC)O
【MOL File】
(3S,4AS,6S,8AR)-2,3(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3S,4AS,6S,8AR)-2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, OCTAHYDRO-6-HYDROXY-, 3-ETHYL 2-METHYL ESTER.cml