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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H51N3O6
Molecular Weight 537.7317
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-O-DEMTHEYL ALISKIREN

SMILES

COC1=CC=C(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)C=C1OCCCO

InChI

InChIKey=NOJYSLNNIPUEPC-ZJZGAYNASA-N
InChI=1S/C29H51N3O6/c1-18(2)21(13-20-9-10-25(37-7)26(14-20)38-12-8-11-33)15-23(30)24(34)16-22(19(3)4)27(35)32-17-29(5,6)28(31)36/h9-10,14,18-19,21-24,33-34H,8,11-13,15-17,30H2,1-7H3,(H2,31,36)(H,32,35)/t21-,22-,23-,24-/m0/s1

HIDE SMILES / InChI

Molecular Formula C29H51N3O6
Molecular Weight 537.7317
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Thu Jul 06 20:31:04 UTC 2023
Edited
by admin
on Thu Jul 06 20:31:04 UTC 2023
Record UNII
7X3DF4S7XZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-O-DEMTHEYL ALISKIREN
Common Name English
O-DEMTHEYL ALISKIREN, (HYDROXYPROPOXY O)-
Common Name English
BENZENEOCTANAMIDE, .DELTA.-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.-HYDROXY-3-(3-HYDROXYPROPOXY)-4-METHOXY-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)-, (.ALPHA.S,.GAMMA.S,.DELTA.S,.ZETA.S)-MOLECULAR WEIGHT
Systematic Name English
(.ALPHA.S,.GAMMA.S,.DELTA.S,.ZETA.S)-.DELTA.-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.-HYDROXY-3-(3-HYDROXYPROPOXY)-4-METHOXY-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)BENZENEOCTANAMIDE
Systematic Name English
ALISKIREN HYDROXYPROPOXY ANALOG
Common Name English
ALISKIREN METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
71315708
Created by admin on Thu Jul 06 20:31:04 UTC 2023 , Edited by admin on Thu Jul 06 20:31:04 UTC 2023
PRIMARY
CAS
949925-76-2
Created by admin on Thu Jul 06 20:31:04 UTC 2023 , Edited by admin on Thu Jul 06 20:31:04 UTC 2023
PRIMARY
FDA UNII
7X3DF4S7XZ
Created by admin on Thu Jul 06 20:31:04 UTC 2023 , Edited by admin on Thu Jul 06 20:31:04 UTC 2023
PRIMARY
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