ERTAPENEM DISODIUM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23N3O7S.2Na
Molecular Weight	519.478
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC=CC(=C4)C([O-])=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C([O-])=O

InChI

InChIKey=KMVRATCHVMUJHM-SHZCTIMHSA-L

InChI=1S/C22H25N3O7S.2Na/c1-9-16-15(10(2)26)20(28)25(16)17(22(31)32)18(9)33-13-7-14(23-8-13)19(27)24-12-5-3-4-11(6-12)21(29)30;;/h3-6,9-10,13-16,23,26H,7-8H2,1-2H3,(H,24,27)(H,29,30)(H,31,32);;/q;2*+1/p-2/t9-,10-,13+,14+,15-,16-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	C22H23N3O7S
Molecular Weight	473.499
Charge	-2
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 10:45:42 UTC 2023` Edited by `admin` on `Sat Dec 16 10:45:42 UTC 2023`
Record UNII	P5HEA33D9R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ERTAPENEM DISODIUM

Common Name

English

1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-((5-(((3-CARBOXYPHENYL)AMINO)CARBONYL)-3-PYRROLIDINYL)THIO)-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-, DISODIUM SALT, (4R-(3(3S*,5S*),4.ALPHA.,5.BETA.,6.BETA.(R*)))-

Systematic Name

English

1-AZABICYCLO(3.2.0)HEPT-2-ENE-2-CARBOXYLIC ACID, 3-(((3S,5S)-5-(((3-CARBOXYPHENYL)AMINO)CARBONYL)-3-PYRROLIDINYL)THIO)-6-((1R)-1-HYDROXYETHYL)-4-METHYL-7-OXO-, SODIUM SALT (1:2), (4R,5S,6S)-

Systematic Name

English

Code System Code Type Description

CAS

153832-38-3

Created by admin on Sat Dec 16 10:45:42 UTC 2023 , Edited by admin on Sat Dec 16 10:45:42 UTC 2023

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PUBCHEM

150611

Created by admin on Sat Dec 16 10:45:42 UTC 2023 , Edited by admin on Sat Dec 16 10:45:42 UTC 2023

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EPA CompTox

DTXSID60934852

Created by admin on Sat Dec 16 10:45:42 UTC 2023 , Edited by admin on Sat Dec 16 10:45:42 UTC 2023

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FDA UNII

P5HEA33D9R

Created by admin on Sat Dec 16 10:45:42 UTC 2023 , Edited by admin on Sat Dec 16 10:45:42 UTC 2023

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