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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H27NO7S
Molecular Weight 437.507
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (.ALPHA.S,.BETA.S)-4-HYDROXY-.ALPHA.-(3-METHOXY-4-(SULFOOXY)PHENYL)-.BETA.-METHYL-4-PHENYL-1-PIPERIDINEETHANOL

SMILES

COC1=C(OS(O)(=O)=O)C=CC(=C1)[C@H](O)[C@H](C)N2CCC(O)(CC2)C3=CC=CC=C3

InChI

InChIKey=XAIYJGKNFTUOTL-MGPUTAFESA-N
InChI=1S/C21H27NO7S/c1-15(22-12-10-21(24,11-13-22)17-6-4-3-5-7-17)20(23)16-8-9-18(19(14-16)28-2)29-30(25,26)27/h3-9,14-15,20,23-24H,10-13H2,1-2H3,(H,25,26,27)/t15-,20+/m0/s1

HIDE SMILES / InChI
Molecular Formula C21H27NO7S
Molecular Weight 437.507
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
149,124
Substance Class Chemical
Record UNII
YP9FAX272T
Record Status Validated (UNII)
Record Version
NIH
NCATS
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