RG7834

CAT: 0607-BA1815-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No

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CAT#:0607-BA1815-5.1Size:1 mL (10 mM in DMSO)

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

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CAS Number

2072057-17-9

Form

A solid

Molecular Formula

C22H27NO6

Molecular Weight

401.45

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

(S)-6-Isopropyl-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6,7-dihydro-2h-pyrido[2,1-a]isoquinoline-3-carboxylic acid

CAS Number	2072057-17-9
PubChem CID	118261815
IUPAC Name	(6S)-10-methoxy-9-(3-methoxypropoxy)-2-oxo-6-propan-2-yl-6,7-dihydrobenzo[a]quinolizine-3-carboxylic acid
Molecular Formula	C22H27NO6
Molecular Weight	401.5
XLogP	3.8
Topological Polar Surface Area	85.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	29
Formal Charge	0
Complexity	685

SMILES

CC(C)[C@@H]1CC2=CC(=C(C=C2C3=CC(=O)C(=CN13)C(=O)O)OC)OCCCOC

InChI

InChI=1S/C22H27NO6/c1-13(2)17-8-14-9-21(29-7-5-6-27-3)20(28-4)10-15(14)18-11-19(24)16(22(25)26)12-23(17)18/h9-13,17H,5-8H2,1-4H3,(H,25,26)/t17-/m0/s1

InChIKey

KBXLMOYQNDMHQT-KRWDZBQOSA-N

Chemical Structure

2D Structure

CAS: 2072057-17-9

CID: 118261815

Formula: C22H27NO6

MW: 401.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	401.5
XLogP3	3.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	401.18383758
Monoisotopic Mass	401.18383758
Topological Polar Surface Area	85.3 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	685
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