AG003BOV

87269-87-2 | (S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester, HCl

AG003BOV

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CAS Number	87269-87-2
Catalog Number	AG003BOV(AGN-PC-0VBRJI)
Chemical Name	(S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester, HCl
IUPAC Name	benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride
InChI	InChI=1S/C15H19NO2.ClH/c17-15(18-10-11-5-2-1-3-6-11)14-9-12-7-4-8-13(12)16-14;/h1-3,5-6,12-14,16H,4,7-10H2;1H/t12-,13-,14-;/m0./s1
InChI Key	HLXCXOQXUDRJLF-JKBZPBJLSA-N
MDL Number	MFCD04974076
Molecular Formula	C15H20ClNO2
Molecular Weight	281.7778
SMILES	O=C([C@@H]1C[C@@](CCC2)([H])[C@@]2([H])N1)OCC3=CC=CC=C3.[H]Cl
UNII	38HKS9C1WM
Synonyms	87269-87-2, (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, (2S,3aS,6aS)-Benzyl octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, UNII-38HKS9C1WM, 38HKS9C1WM, (2S,3aS,6aS)-octahydro-Cyclopenta[b]pyrrole-2-carboxylic acid, Benzyl Ester, HCl, benzyl (2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, (S,S,S)-2-AZABICYCLO[3,3,0]-OCTANE-3-CARBOXYLIC ACID BENZYL ESTER HYDROCHLORIDE, (S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride, Benzyl (S,S,S)-2-azabicyclo[3.3.0]octane-3-carboxylate hydrochloride, (S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzylester hydrochloride, (1S,3S,5S)-2-Azabicyclo[3,3,0]octane-3-carborylic acid benzyl ester hydrochloride, HLXCXOQXUDRJLF-JKBZPBJLSA-N, 93779-29-4, AK-26502, SCHEMBL1997637, CTK8B3811, (s,s,s)-2-azabicyclo[3.3.0]octane-3-carboxylic acid benzyl ester hydrochloride, ANW-43230, CA-276, MFCD04974076, MFCD06658210, (S,S,S)-Octahydro-cyclopenta[b]pyrrole-2-carboxylic acid benzyl ester HCl, AKOS015895588, CS-W008300, MG-0725, AN-16758, BR-26502, AB0069050, AX8016045, DB-025243, ST2407923, TC-131975, 269A872, J-502554, Q-200694, (2s,3as,6as)-benzyl octahydrocyclopenta[b]pyrrole-2-carboxylatehydrochloride, (S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester, HCl, benzyl (S,S,S)-2-azabicyclo[3,3,0]octane-3-carboxylate. hydrochloride, benzyl (S,S,S)-2-azabicyclo[3,3,0]octane-3-carboxylate.hydrochloride, (1S,3S,5S)-2-azabicyclo[3,3,0]-octane-3-3-carboxylic acid benzyl ester hydrochloride, (S,S,S)-2-Azabicyclo [3,3,0] Octane-3-Carboxylic acid benzyl ester hydrochloride, (S,S,S)-2-Azabicyclo[3,3,0]octane-3-carboxylic acid benzyl ester hydrochloride, Benzyl (S,S,S)-2-azabicyclo[3.3.0]octane-3-carboxylate hydrochloride, 97%, benzyl(2S,3aS,6aS)-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, (2S,3aS,6aS)-Octahydrocyclopenta[b]pyrrole-2-carboxylic Acid Phenylmethyl Ester Hydrochloride, 1279035-95-8, benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate hydrochloride, benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate,hydrochloride, benzyl (2S,3aS,6aS)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate;hydrochloride, Cyclopenta(b)pyrrole-2-carboxylic acid, octahydro-, phenylmethyl ester, hydrochloride (1:1), (2S,3aR,6aR)-, BENZTROPINE MESYLATE, CB10391, CS-T-04415, B5344, 93779-31-8, -2-Azabicyclo[3,3,0]octane-3-carborylicacidbenzylesterhydrochloride, (S,S,S)-2-Azabicyclo[3,3,0]-octane-3-carboxylic acid benzyl ester HCL, (S,S,S)-2-Azabicyclo[3,3,0]-octane-carboxylic acid benzylester hydrochloride, (S,S,S)-2-Azabicyclo[3.3.0]octane-3-carboxylic Acid, Benzyl Ester, Hydrochloride, cis,endo-2-Azabicyclo [3,3,0] octane-3-carboxylic acid benzylester hydrochloride,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	3
Defined Bond Stereocenter Count	0
Exact Mass	281.118g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	281.78g/mol
Monoisotopic Mass	281.118g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	38.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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