Captopril Impurity 2

CAT: 1596-AR-C06011-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-C06011-02Size:25 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1249080-59-8

Molecular Formula

C9H15NO3

Molecular Weight

185.223

API Name

Captopril

Chemical Information

Isopropyl 2-(2-oxopyrrolidin-1-yl)acetate

CAS Number	1249080-59-8
PubChem CID	60704395
IUPAC Name	propan-2-yl 2-(2-oxopyrrolidin-1-yl)acetate
Molecular Formula	C9H15NO3
Molecular Weight	185.22
XLogP	0.5
Topological Polar Surface Area	46.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	13
Formal Charge	0
Complexity	213

SMILES

CC(C)OC(=O)CN1CCCC1=O

InChI

InChI=1S/C9H15NO3/c1-7(2)13-9(12)6-10-5-3-4-8(10)11/h7H,3-6H2,1-2H3

InChIKey

CZYUXPCSQUJSMV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1249080-59-8

CID: 60704395

Formula: C9H15NO3

MW: 185.22

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	185.22
XLogP3	0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	185.10519334
Monoisotopic Mass	185.10519334
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	213
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
AR-C01290-01	Captopril EP Impurity A (Captopril Disulfide)
AR-C06009-01	Captopril Impurity 1
AR-C06015-01	Captopril Impurity 3
AR-C06017-01	Captopril Impurity 11
AR-C06013-01	Captopril EP Impurity A-d6 (Captopril Disulfide-d6)
AR-C01295-01	Captopril EP Impurity H
AR-C01297-01	Captopril EP Impurity L
AR-C01304-01	Captopril EP Impurity E
AR-C01296-01	Captopril EP Impurity I
AR-C01299-01	Captopril EP Impurity O