DE(AMIDE) ERTAPENEM

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22N2O7S
Molecular Weight	374.409
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(C(O)=O)=C(S[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H]1C)[C@@H]([C@@H](C)O)C(O)=O

InChI

InChIKey=HLKVOTLUWCTHFR-NRNPDCPVSA-N

InChI=1S/C15H22N2O7S/c1-5-10(9(6(2)18)14(21)22)17-11(15(23)24)12(5)25-7-3-8(13(19)20)16-4-7/h5-10,16-18H,3-4H2,1-2H3,(H,19,20)(H,21,22)(H,23,24)/t5-,6-,7+,8+,9-,10-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C15H22N2O7S
Molecular Weight	374.409
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:48:20 UTC 2023` Edited by `admin` on `Sat Dec 16 11:48:20 UTC 2023`
Record UNII	8398JTQ3VS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DE(AMIDE) ERTAPENEM

Common Name

English

ERTAPENEM METABOLITE M1

Common Name

English

1H-PYRROLE-2-ACETIC ACID, 5-CARBOXY-4-(((3S,5S)-5-CARBOXY-3-PYRROLIDINYL)THIO)-2,3-DIHYDRO-.ALPHA.-((1R)-1-HYDROXYETHYL)-3-METHYL-, (.ALPHA.S,2S,3R

Systematic Name

English

Code System Code Type Description

CAS

357154-28-0

Created by admin on Sat Dec 16 11:48:20 UTC 2023 , Edited by admin on Sat Dec 16 11:48:20 UTC 2023

PRIMARY

FDA UNII

8398JTQ3VS

Created by admin on Sat Dec 16 11:48:20 UTC 2023 , Edited by admin on Sat Dec 16 11:48:20 UTC 2023

PRIMARY

PUBCHEM

137331874

Created by admin on Sat Dec 16 11:48:20 UTC 2023 , Edited by admin on Sat Dec 16 11:48:20 UTC 2023

PRIMARY

Related Record Type Details


					G32F6EID2H

ERTAPENEM

PARENT -> METABOLITE

Interaction Type:

MINOR

Qualification:

URINE

Amount: