Close
4

Athena Athena

X

CAS 1185084-49-4 manufacturers and suppliers on PharmaCompass

PharmaCompass
  • Chemistry
Rabeprazole-D3 Sulfide
Also known as: 1185084-49-4, 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfanyl]-1h-benzimidazole
Molecular Formula
C18H21N3O2S
Molecular Weight
346.5  g/mol
InChI Key
BSXAHDOWMOSVAP-BMSJAHLVSA-N

1 2D Structure

Rabeprazole-D3 Sulfide

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfanyl]-1H-benzimidazole
2.1.2 InChI
InChI=1S/C18H21N3O2S/c1-13-16(19-9-8-17(13)23-11-5-10-22-2)12-24-18-20-14-6-3-4-7-15(14)21-18/h3-4,6-9H,5,10-12H2,1-2H3,(H,20,21)/i2D3
2.1.3 InChI Key
BSXAHDOWMOSVAP-BMSJAHLVSA-N
2.1.4 Canonical SMILES
CC1=C(C=CN=C1CSC2=NC3=CC=CC=C3N2)OCCCOC
2.1.5 Isomeric SMILES
[2H]C([2H])([2H])OCCCOC1=C(C(=NC=C1)CSC2=NC3=CC=CC=C3N2)C
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1185084-49-4

2. 2-[[3-methyl-4-[3-(trideuteriomethoxy)propoxy]pyridin-2-yl]methylsulfanyl]-1h-benzimidazole

2.3 Create Date
2010-07-26
3 Chemical and Physical Properties
Molecular Weight 346.5 g/mol
Molecular Formula C18H21N3O2S
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass346.15427833 g/mol
Monoisotopic Mass346.15427833 g/mol
Topological Polar Surface Area85.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity374
Isotope Atom Count3
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty
Post Enquiry
POST ENQUIRY