PENICILLIN G PROCAINE ANHYDROUS

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18N2O4S.C13H20N2O2
Molecular Weight	570.7
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PENICILLIN G PROCAINE ANHYDROUS

Structure Search

SMILES

CCN(CC)CCOC(=O)C1=CC=C(N)C=C1.[H][C@]23SC(C)(C)[C@@H](N2C(=O)[C@H]3NC(=O)CC4=CC=CC=C4)C(O)=O

InChI

InChIKey=WHRVRSCEWKLAHX-LQDWTQKMSA-N

InChI=1S/C16H18N2O4S.C13H20N2O2/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;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/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	C13H20N2O2
Molecular Weight	236.3101
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 05:45:29 UTC 2023` Edited by `admin` on `Sat Dec 16 05:45:29 UTC 2023`
Record UNII	1LW5K9CIR1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENICILLIN G PROCAINE ANHYDROUS

Common Name

English

4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID, 3,3-DIMETHYL-7-OXO-6-((2-PHENYLACETYL)AMINO)- (2S,5R,6R)-, COMPD. WITH 2-(DIETHYLAMINO)ETHYL 4-AMINOBENZOATE (1:1)

Common Name

English

ANHYDROUS PROCAINE PENICILLIN

Common Name

English

Code System Code Type Description

ECHA (EC/EINECS)

200-205-7