Shandong Chenghui Shuangda Pharmaceutical | CAS 1191237-80-5 | Related Intermediates | Manufacturers & Suppliers

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

1911578-98-7

End Use API

Remdesivir

About the Company

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and adva...

Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 workshops and 9 production lines which has 100t/month production capacity.The company is committed to maintain the standards with continuous improvements to the current standards throughout the product lifecycle.The main products include local anesthetic drugs, antiviral drugs, cardiovascular and cerebrovascular drugs, antitumor drugs, gastrointestinal drugs, diabetic drugs, veterinary drugs, and CDMO products.