Anvitha Lifecare

CAS 1191237-80-5

Chemistry, 1 End Use API, 23 Related Intermediates

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Also known as: 1191237-80-5, Remdesivir o-desphosphate acetonide impurity, D-altrononitrile, 2-c-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-3,4-o-(1-methylethylidene)-, (3ar,4r,6r,6ar)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3ah-furo[3,4-d][1,3]dioxole-4-carbonitrile, Schembl12393281, Ac-31304

Molecular Formula

C₁₅H₁₇N₅O₄

Molecular Weight

331.33 g/mol

InChI Key

IJCOKJGMVJGKBB-CGEWXTDFSA-N

1 2D Structure

CAS 1191237-80-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3aR,4R,6R,6aR)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[3,4-d][1,3]dioxole-4-carbonitrile

2.1.2 InChI

InChI=1S/C15H17N5O4/c1-14(2)23-11-9(5-21)22-15(6-16,12(11)24-14)10-4-3-8-13(17)18-7-19-20(8)10/h3-4,7,9,11-12,21H,5H2,1-2H3,(H2,17,18,19)/t9-,11-,12-,15+/m1/s1

2.1.3 InChI Key

IJCOKJGMVJGKBB-CGEWXTDFSA-N

2.1.4 Canonical SMILES

CC1(OC2C(OC(C2O1)(C#N)C3=CC=C4N3N=CN=C4N)CO)C

2.1.5 Isomeric SMILES

CC1(O[C@@H]2[C@H](O[C@@]([C@@H]2O1)(C#N)C3=CC=C4N3N=CN=C4N)CO)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1191237-80-5

2. Remdesivir O-desphosphate Acetonide Impurity

3. D-altrononitrile, 2-c-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-3,4-o-(1-methylethylidene)-

4. (3ar,4r,6r,6ar)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3ah-furo[3,4-d][1,3]dioxole-4-carbonitrile

5. Schembl12393281

6. Ac-31304

7. As-84449

8. Hy-136597

9. Cs-0131976

10. E75022

11. (4r)-4-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-6-(hydroxymethyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carbonitrile

12. 2-c-(4-aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-2,5-anhydro-3,4-o-(1-methylethylidene)-d-altrononitrile

2.3 Create Date

2012-08-19

3 Chemical and Physical Properties

Molecular Formula	C₁₅H₁₇N₅O₄
Molecular Weight	331.33 g/mol
XLogP3	-1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	331.12805404 g/mol
Monoisotopic Mass	331.12805404 g/mol
Topological Polar Surface Area	128 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	565
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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CAS Number

1633-83-6

End Use API

Remdesivir

About the Company

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bu...

Established in 2016, a state-of-the-art R&D facility engaged in the development of Novel processes for Bulk Actives including Deuterated Actives, Advanced Intermediates and up the value chain. With experience, Anvitha Life Care Private Limited has knowledge and expertise as a leader in chemical research. Every decision is inspired by our main mission, which is to provide the highest standard of product and services to our clients. In this rapidly changing industry, we’ve realized the importance of continually updating our approach to stay relevant in the market, and are committed to just that.

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