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Details

Stereochemistry ACHIRAL
Molecular Formula C26H47N2O.Cl.H2O
Molecular Weight 457.132
Optical Activity NONE
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MIRAMISTIN MONOHYDRATE

SMILES

O.[Cl-].CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC1=CC=CC=C1

InChI

InChIKey=YUXKLHOWBIKGKB-UHFFFAOYSA-N
InChI=1S/C26H46N2O.ClH.H2O/c1-4-5-6-7-8-9-10-11-12-13-17-21-26(29)27-22-18-23-28(2,3)24-25-19-15-14-16-20-25;;/h14-16,19-20H,4-13,17-18,21-24H2,1-3H3;1H;1H2

HIDE SMILES / InChI

Molecular Formula C26H47N2O
Molecular Weight 403.6642
Charge 1
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity NONE

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
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 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
V4P69N5QH2
Record Status Validated (UNII)
Record Version