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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H21NO4.ClH
Molecular Weight 375.846
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICENTRINE HYDROCHLORIDE

SMILES

Cl.[H][C@]12CC3=C(C=C(OC)C(OC)=C3)C4=C1C(CCN2C)=CC5=C4OCO5

InChI

InChIKey=KEPNLLUUOISJKZ-UQKRIMTDSA-N
InChI=1S/C20H21NO4.ClH/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19;/h7-9,14H,4-6,10H2,1-3H3;1H/t14-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C20H21NO4
Molecular Weight 339.385
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
NM6VV540LZ
Record Status Validated (UNII)
Record Version