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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO4.ClH
Molecular Weight 345.862
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACC-9369 HYDROCHLORIDE, (S)-

SMILES

Cl.CCOC(=O)CCC1=C(OC[C@@H](O)CNC(C)C)C=CC=C1

InChI

InChIKey=IKFUEAAUZIWSDO-RSAXXLAASA-N
InChI=1S/C17H27NO4.ClH/c1-4-21-17(20)10-9-14-7-5-6-8-16(14)22-12-15(19)11-18-13(2)3;/h5-8,13,15,18-19H,4,9-12H2,1-3H3;1H/t15-;/m0./s1

HIDE SMILES / InChI

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

Molecular Formula C17H27NO4
Molecular Weight 309.4006
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

Approval Year

Substance Class Chemical
Record UNII
7H7LA20J4F
Record Status Validated (UNII)
Record Version