Ertapenem 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 Search

SMILES

[H][C@]12[C@@H](C)C(S[C@H]3C[C@H](N(C3)C(=O)C4=C(S[C@@H]5CN[C@@H](C5)C(=O)NC6=CC(=CC=C6)C(O)=O)[C@H](C)[C@@]7([H])N4C(=O)[C@]7([H])[C@@H](C)O)C(=O)NC8=CC(=CC=C8)C(O)=O)=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O

InChI

InChIKey=GIKZHKCNSVCAIT-BNCIILEKSA-N

InChI=1S/C44H48N6O13S2/c1-17-31-29(19(3)51)39(55)49(31)33(35(17)64-25-13-27(45-15-25)37(53)46-23-9-5-7-21(11-23)42(58)59)41(57)48-16-26(14-28(48)38(54)47-24-10-6-8-22(12-24)43(60)61)65-36-18(2)32-30(20(4)52)40(56)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 20:10:34 UTC 2023` Edited by `admin` on `Sat Dec 16 20:10:34 UTC 2023`
Record UNII	GZ7TH82JXM
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Ertapenem Dimer Impurity

Common Name

English

Ertapenem sodium dimer IV

Common Name

English

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

Systematic Name

English

Ertapenem sodium dimer hydrate b

Common Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

GZ7TH82JXM

Created by admin on Sat Dec 16 20:10:34 UTC 2023 , Edited by admin on Sat Dec 16 20:10:34 UTC 2023

PRIMARY

PUBCHEM

71316412

Created by admin on Sat Dec 16 20:10:34 UTC 2023 , Edited by admin on Sat Dec 16 20:10:34 UTC 2023

PRIMARY

CAS

402955-37-7

Created by admin on Sat Dec 16 20:10:34 UTC 2023 , Edited by admin on Sat Dec 16 20:10:34 UTC 2023

PRIMARY