Ertapenem N-Carbonyl Dimer Impurity

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C44H48N6O13S2
Molecular Weight	933.014
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Ertapenem N-Carbonyl Dimer Impurity

Structure Search

SMILES

[H][C@]12[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)NC4=CC=CC(=C4)C(=O)N5C[C@H](C[C@H]5C(=O)NC6=CC(=CC=C6)C(O)=O)SC7=C(N8C(=O)[C@]([H])([C@@H](C)O)[C@@]8([H])[C@H]7C)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=QPSFVRZTQQVRAQ-BNCIILEKSA-N

InChI=1S/C44H48N6O13S2/c1-17-31-29(19(3)51)40(56)49(31)33(43(60)61)35(17)64-25-13-27(45-15-25)37(53)46-23-9-5-7-21(11-23)39(55)48-16-26(14-28(48)38(54)47-24-10-6-8-22(12-24)42(58)59)65-36-18(2)32-30(20(4)52)41(57)50(32)34(36)44(62)63/h5-12,17-20,25-32,45,51-52H,13-16H2,1-4H3,(H,46,53)(H,47,54)(H,58,59)(H,60,61)(H,62,63)/t17-,18-,19-,20-,25+,26+,27+,28+,29-,30-,31-,32-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C44H48N6O13S2
Molecular Weight	933.014
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:49:01 GMT 2023` Edited by `admin` on `Sat Dec 16 19:49:01 GMT 2023`
Record UNII	97VY32S7GT
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ertapenem N-Carbonyl Dimer Impurity

Common Name

English

Ertapenem sodium dimer hydrate a

Common Name

English

1-Azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid, 3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbony

Systematic Name

English

(4R,5S,6S)-3-[[(3S,5S)-1-[3-[[[(2S,4S)-4-[[(4R,5S,6S)-2-Carboxy-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-en-3-yl]thio]-2-pyrrolidinyl]carbonyl]amino]benzoyl]-5-[[(3-carboxyphenyl)amino]carbonyl]-3-pyrrolidinyl]thio]-6-[(1R)-1-hydr

Systematic Name

English

Code System Code Type Description

CAS

1199797-43-7

Created by admin on Sat Dec 16 19:49:02 GMT 2023 , Edited by admin on Sat Dec 16 19:49:02 GMT 2023

PRIMARY

PUBCHEM

58344480

Created by admin on Sat Dec 16 19:49:02 GMT 2023 , Edited by admin on Sat Dec 16 19:49:02 GMT 2023

PRIMARY

FDA UNII

97VY32S7GT

Created by admin on Sat Dec 16 19:49:02 GMT 2023 , Edited by admin on Sat Dec 16 19:49:02 GMT 2023

PRIMARY