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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H45N3O5
Molecular Weight 479.6526
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DEMETHOXYPROPANE 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=C1O

InChI

InChIKey=BCUNQZNYUMYGGS-TUFLPTIASA-N
InChI=1S/C26H45N3O5/c1-15(2)18(10-17-8-9-23(34-7)22(31)11-17)12-20(27)21(30)13-19(16(3)4)24(32)29-14-26(5,6)25(28)33/h8-9,11,15-16,18-21,30-31H,10,12-14,27H2,1-7H3,(H2,28,33)(H,29,32)/t18-,19-,20-,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H45N3O5
Molecular Weight 479.6526
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 20:17:25 UTC 2023
Edited
by admin
on Thu Jul 06 20:17:25 UTC 2023
Record UNII
K2N48C2MWH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DEMETHOXYPROPANE ALISKIREN
Common Name English
BENZENEOCTANAMIDE, .DELTA.-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.,3-DIHYDROXY-4-METHOXY-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)-, (.ALPHA.S,.GAMMA.S,.DELTA.S,.ZETA.S)-
Systematic Name English
ALISKIREN METABOLITE M4
Common Name English
(.ALPHA.S,.GAMMA.S,.DELTA.S,.ZETA.S)-.DELTA.-AMINO-N-(3-AMINO-2,2-DIMETHYL-3-OXOPROPYL)-.GAMMA.,3-DIHYDROXY-4-METHOXY-.ALPHA.,.ZETA.-BIS(1-METHYLETHYL)BENZENEOCTANAMIDE
Systematic Name English
Code System Code Type Description
CAS
949925-77-3
Created by admin on Thu Jul 06 20:17:25 UTC 2023 , Edited by admin on Thu Jul 06 20:17:25 UTC 2023
PRIMARY
PUBCHEM
73603892
Created by admin on Thu Jul 06 20:17:25 UTC 2023 , Edited by admin on Thu Jul 06 20:17:25 UTC 2023
PRIMARY
FDA UNII
K2N48C2MWH
Created by admin on Thu Jul 06 20:17:25 UTC 2023 , Edited by admin on Thu Jul 06 20:17:25 UTC 2023
PRIMARY
Related Record Type Details
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