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Details

Stereochemistry ABSOLUTE
Molecular Formula C16H18N2O4S.C6H9N3O
Molecular Weight 473.545
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENICILLIN G 2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE

SMILES

COC1=CC(C)=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=KYFJUFQABSZRIS-LQDWTQKMSA-N
InChI=1S/C16H18N2O4S.C6H9N3O/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;1-4-3-5(10-2)9-6(7)8-4/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);3H,1-2H3,(H2,7,8,9)/t11-,12+,14-;/m1./s1

HIDE SMILES / InChI

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

Molecular Formula C6H9N3O
Molecular Weight 139.1552
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:37:21 GMT 2023
Edited
by admin
on Sat Dec 16 08:37:21 GMT 2023
Record UNII
PUC887544V
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENICILLIN G 2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE
Common Name English
2-PYRIMIDINAMINE, 4-METHOXY-6-METHYL-, MONO((2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)
Common Name English
Penicillin G 2-amino-4-methoxy-6-methylpyrim. [WHO-DD]
Common Name English
4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)- (2S,5R,6R)-, COMPD. WITH 4-METHOXY-6-METHYL-2-PYRIMIDINAMINE (1:1)
Systematic Name English
PENICILLIN G, 2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE SALT
Common Name English
2-PYRIMIDINAMINE, 4-METHOXY-6-METHYL-, MONO((2S-(2.ALPHA.,5.ALPHA.,6.BETA.))-3,3-DIMETHYL-7-OXO-6-((PHENYLACETYL)AMINO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLATE)
Common Name English
2-AMINO-4-METHOXY-6-METHYLPYRIMIDINE PENICILLIN G
Common Name English
Code System Code Type Description
CAS
63512-72-1
Created by admin on Sat Dec 16 08:37:22 GMT 2023 , Edited by admin on Sat Dec 16 08:37:22 GMT 2023
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SMS_ID
100000183952
Created by admin on Sat Dec 16 08:37:22 GMT 2023 , Edited by admin on Sat Dec 16 08:37:22 GMT 2023
PRIMARY
PUBCHEM
92135674
Created by admin on Sat Dec 16 08:37:22 GMT 2023 , Edited by admin on Sat Dec 16 08:37:22 GMT 2023
PRIMARY
FDA UNII
PUC887544V
Created by admin on Sat Dec 16 08:37:22 GMT 2023 , Edited by admin on Sat Dec 16 08:37:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE