Close
4

Chemwerth Chemwerth

X

CAS 1355357-49-1 manufacturers and suppliers on PharmaCompass

PharmaCompass
CAS 1355357-49-1
Also known as: 1355357-49-1, Remdesivir n-4 intermediate, (2r,3r,4r,5r)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-carbonitrile, (2r,3r,4r,5r)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbonitrile, Mfcd32702042, Ptn-57491
Molecular Formula
C33H31N5O4
Molecular Weight
561.6  g/mol
InChI Key
PJXBLWLWNWGFJO-TXLSGFARSA-N

1 2D Structure

CAS 1355357-49-1

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2R,3R,4R,5R)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbonitrile
2.1.2 InChI
InChI=1S/C33H31N5O4/c34-22-33(29-17-16-27-32(35)36-23-37-38(27)29)31(41-20-26-14-8-3-9-15-26)30(40-19-25-12-6-2-7-13-25)28(42-33)21-39-18-24-10-4-1-5-11-24/h1-17,23,28,30-31H,18-21H2,(H2,35,36,37)/t28-,30-,31-,33+/m1/s1
2.1.3 InChI Key
PJXBLWLWNWGFJO-TXLSGFARSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)COCC2C(C(C(O2)(C#N)C3=CC=C4N3N=CN=C4N)OCC5=CC=CC=C5)OCC6=CC=CC=C6
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)COC[C@@H]2[C@H]([C@H]([C@](O2)(C#N)C3=CC=C4N3N=CN=C4N)OCC5=CC=CC=C5)OCC6=CC=CC=C6
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1355357-49-1

2. Remdesivir N-4 Intermediate

3. (2r,3r,4r,5r)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-dibenzyloxy-5-(benzyloxymethyl)tetrahydrofuran-2-carbonitrile

4. (2r,3r,4r,5r)-2-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)oxolane-2-carbonitrile

5. Mfcd32702042

6. Ptn-57491

7. Schembl17712276

8. Zb1789

9. Bs-43679

10. Cs-0135009

11. D79391

12. (2r,3r,4r,5r)-2-{4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl-3,4-bis(benzyloxy)-5-[(benzyloxy)methyl]oxolane-2-carbonitrile

13. 7-(1-cyano-2-o,3-o,5-o-tribenzyl-beta-d-ribofuranosyl)pyrrolo[2,1-f][1,2,4]triazine-4-amine

2.3 Create Date
2015-12-18
3 Chemical and Physical Properties
Molecular Weight 561.6 g/mol
Molecular Formula C33H31N5O4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass561.23760449 g/mol
Monoisotopic Mass561.23760449 g/mol
Topological Polar Surface Area117 Ų
Heavy Atom Count42
Formal Charge0
Complexity883
Isotope Atom Count0
Defined Atom Stereocenter Count4
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