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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H29Cl2NO3.C7H6O3
Molecular Weight 588.519
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MEVIDALEN HYDROXYBENZOATE

SMILES

OC(=O)C1=CC=C(O)C=C1.C[C@@H]2N([C@@H](CO)CC3=C2C=CC=C3CCC(C)(C)O)C(=O)CC4=C(Cl)C=CC=C4Cl

InChI

InChIKey=QDACLJAXTYXXBL-KPVRICSOSA-N
InChI=1S/C24H29Cl2NO3.C7H6O3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26;8-6-3-1-5(2-4-6)7(9)10/h4-9,15,17,28,30H,10-14H2,1-3H3;1-4,8H,(H,9,10)/t15-,17+;/m0./s1

HIDE SMILES / InChI

Molecular Formula C7H6O3
Molecular Weight 138.1207
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 C24H29Cl2NO3
Molecular Weight 450.398
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Record UNII
1ZZ82832I4
Record Status Validated (UNII)
Record Version