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Details

Stereochemistry ACHIRAL
Molecular Formula C32H37NO.C2H2O4
Molecular Weight 541.6772
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-4066 OXALATE

SMILES

OC(=O)C(O)=O.CCC(=O)C(CCN1CCC2(CCCC3=CC=CC=C23)CC1)(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChIKey=DRZCBAHULALFNW-UHFFFAOYSA-N
InChI=1S/C32H37NO.C2H2O4/c1-2-30(34)32(27-14-5-3-6-15-27,28-16-7-4-8-17-28)22-25-33-23-20-31(21-24-33)19-11-13-26-12-9-10-18-29(26)31;3-1(4)2(5)6/h3-10,12,14-18H,2,11,13,19-25H2,1H3;(H,3,4)(H,5,6)

HIDE SMILES / InChI

Molecular Formula C32H37NO
Molecular Weight 451.6423
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

Molecular Formula C2H2O4
Molecular Weight 90.0349
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
DL9M9L165Z
Record Status Validated (UNII)
Record Version