Dalian Richon Chem

CAS 1355357-49-1

Chemistry, 1 End Use API, 23 Related Intermediates

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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 Formula	C₃₃H₃₁N₅O₄
Molecular Weight	561.6 g/mol
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	11
Exact Mass	561.23760449 g/mol
Monoisotopic Mass	561.23760449 g/mol
Topological Polar Surface Area	117 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	883
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	1

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4-amino-7-iodopyrrolo[2,1-f][1,2,4]triazine

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CAS Number

1770840-43-1

End Use API

Remdesivir

About the Company

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and developmen...

Dalian Richon Chem. Co., Ltd is a high-tech enterprise professionally involved in research and development, manufacturing process and sales service of pharmaceutical intermediates and APIs. It has passed ISO9001:2000 international quality management system certificate. Its business scope includes development and manufacturing of APIs and pharmaceutical intermediates, contract development and manufacturing for domestic and international pharmaceutical companies, technical consultation, service and transfer.

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