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Details

Stereochemistry MIXED
Molecular Formula C14H21N3O6.ClH
Molecular Weight 363.794
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of 5-AMINO-N,N'-BIS(2,3-DIHYDROXYPROPYL)ISOPHTHALAMIDE HYDROCHLORIDE

SMILES

Cl.NC1=CC(=CC(=C1)C(=O)NCC(O)CO)C(=O)NCC(O)CO

InChI

InChIKey=GNBBCFFLJFKAHB-UHFFFAOYSA-N
InChI=1S/C14H21N3O6.ClH/c15-10-2-8(13(22)16-4-11(20)6-18)1-9(3-10)14(23)17-5-12(21)7-19;/h1-3,11-12,18-21H,4-7,15H2,(H,16,22)(H,17,23);1H

HIDE SMILES / InChI

Molecular Formula C14H21N3O6
Molecular Weight 327.333
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

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
WB6QXV6056
Record Status Validated (UNII)
Record Version