Cilastatin EP Impurity E

CAT: 1299-RM-C121905-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-C121905-01Size:10 mg

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CAS Number

1174657-07-8

Synonyms

(R) -7- ((2-amino-2-carboxyethyl) thio) -2-oxoheptanoic acid

Molecular Formula

C10H17NO5S

Molecular Weight

263.31

Target Alternative Name

Cilastatin

Product Name Synonym

(R) -7- ((2-amino-2-carboxyethyl) thio) -2-oxoheptanoic acid

Chemical Information

Cilastatin ep impurity E

CAS Number	1174657-07-8
PubChem CID	155905772
IUPAC Name	7-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-oxoheptanoic acid
Molecular Formula	C10H17NO5S
Molecular Weight	263.31
XLogP	-2.3
Topological Polar Surface Area	143
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	17
Formal Charge	0
Complexity	282

SMILES

C(CCC(=O)C(=O)O)CCSC[C@@H](C(=O)O)N

InChI

InChI=1S/C10H17NO5S/c11-7(9(13)14)6-17-5-3-1-2-4-8(12)10(15)16/h7H,1-6,11H2,(H,13,14)(H,15,16)/t7-/m0/s1

InChIKey

NPAOQOWXVDEARX-ZETCQYMHSA-N

Chemical Structure

2D Structure

CAS: 1174657-07-8

CID: 155905772

Formula: C10H17NO5S

MW: 263.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.31
XLogP3	-2.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	263.08274382
Monoisotopic Mass	263.08274382
Topological Polar Surface Area	143 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RM-C121901-01	Cilastatin EP Impurity A
RM-C121907-01	Cilastatin EP Impurity G
RM-C121902-01	Cilastatin EP Impurity B
RM-C121903-01	Cilastatin EP Impurity C
RM-C121904-01	Cilastatin EP Impurity D
RM-C121906-01	Cilastatin EP Impurity F
RM-C121908-01	Cilastatin EP Impurity H
RM-L202405-01	Levothyroxine EP Impurity E; Liothyronine EP Impurity E
RM-O132305-01	Omeprazole EP Impurity E; Esomeprazole EP Impurity E
RM-P182605-01	Prazosin EP Impurity E; Doxazosin EP Impurity H; Terazosin EP Impurity E