RTI-55 hydrochloride

CAT: 0024-sc-472826Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-472826Size:10 mg

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

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CAS Number

141899-24-3

Chemical Information

RTI-55 Hydrochloride

CAS Number	141899-24-3
PubChem CID	71752052
IUPAC Name	methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;hydrochloride
Molecular Formula	C16H21ClINO2
Molecular Weight	421.70
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	21
Formal Charge	0
Complexity	367

SMILES

CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC.Cl

InChI

InChI=1S/C16H20INO2.ClH/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10;/h3-6,12-15H,7-9H2,1-2H3;1H/t12-,13+,14+,15-;/m0./s1

InChIKey

FGRGHXZCDYBEJE-PEVLCXCCSA-N

Chemical Structure

2D Structure

CAS: 141899-24-3

CID: 71752052

Formula: C16H21ClINO2

MW: 421.70

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	421.70
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	421.03055
Monoisotopic Mass	421.03055
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	367
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
TRC-R701010-100MG	RTI-55 Hydrochloride
020767	RTI-55 Hydrochloride discontinued
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