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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H38N4O9.C16H18N2O5S
Molecular Weight 937.023
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENIMEPICYCLINE

SMILES

[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@@]2([H])NC(=O)COC3=CC=CC=C3)C(O)=O.[H][C@@]45C[C@@]6([H])C(C(=O)C7=C(O)C=CC=C7[C@@]6(C)O)=C(O)[C@]4(O)C(=O)C(C(=O)NCN8CCN(CCO)CC8)=C(O)[C@H]5N(C)C

InChI

InChIKey=MEGKRPMNPGTIIG-VNYBMUHKSA-N
InChI=1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1

HIDE SMILES / InChI

Molecular Formula C29H38N4O9
Molecular Weight 586.6334
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C16H18N2O5S
Molecular Weight 350.39
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Penimepicycline is a salt of beta-lactam antibiotic penicillin V and tetracycline antibiotic pipacycline. Penimepicycline exerts a bactericidal action on the streptococci, and a bacteriostatic action on various gram-positive and gram-negative bacilli, as well as on the penicillin-resistant staphylococci. In the 1960s it was studied in Japan for the treatment of urological, respiratory, gynecological and other infections.

Approval Year

Substance Class Chemical
Record UNII
3RGQ4B6E87
Record Status Validated (UNII)
Record Version