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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O4S.C5H7N3O
Molecular Weight 459.519
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-4-METHOXYPYRIMIDINE PENICILLIN G

SMILES

COC1=CC=NC(N)=N1.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)C(O)=O

InChI

InChIKey=ITDFKMFVMFVJTA-LQDWTQKMSA-N
InChI=1S/C16H18N2O4S.C5H7N3O/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-9-4-2-3-7-5(6)8-4/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);2-3H,1H3,(H2,6,7,8)/t11-,12+,14-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C5H7N3O
Molecular Weight 125.1286
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H18N2O4S
Molecular Weight 334.39
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:57:57 UTC 2023
Edited
by admin
on Sat Dec 16 18:57:57 UTC 2023
Record UNII
6KXP5JH4YJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-AMINO-4-METHOXYPYRIMIDINE PENICILLIN G
Common Name English
PENICILLIN G 2-AMINO-4-METHOXYPYRIMIDINE
Common Name English
PENICILLIN G, 2-AMINO-4-METHOXYPYRIMIDINE SALT
Common Name English
Code System Code Type Description
CAS
114383-20-9
Created by admin on Sat Dec 16 18:57:57 UTC 2023 , Edited by admin on Sat Dec 16 18:57:57 UTC 2023
PRIMARY
FDA UNII
6KXP5JH4YJ
Created by admin on Sat Dec 16 18:57:57 UTC 2023 , Edited by admin on Sat Dec 16 18:57:57 UTC 2023
PRIMARY
PUBCHEM
156596452
Created by admin on Sat Dec 16 18:57:57 UTC 2023 , Edited by admin on Sat Dec 16 18:57:57 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
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ACTIVE MOIETY