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CAS 1191237-80-5 manufacturers and suppliers on PharmaCompass

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CAS 1191237-80-5
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 Weight 331.33 g/mol
Molecular Formula C15H17N5O4
XLogP3-1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass331.12805404 g/mol
Monoisotopic Mass331.12805404 g/mol
Topological Polar Surface Area128 Ų
Heavy Atom Count24
Formal Charge0
Complexity565
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
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Digital Content Digital Content
URL Supplier Web Content
1191237-80-5
Remdesivir
Syngenesis Chemscience Private Limited founded in 2017. Headquarters in Nashik, Maharashtra, India. We su...
Syngenesis Chemscience Private Limited founded in 2017. Headquarters in Nashik, Maharashtra, India. We support customers located across India and Globe. Our state-of-the-art and Manufacturing facility is located at Nashik, Maharashtra, India. Syngenesis Chemscience Private Limited is committed to provide outstanding customer service and high quality pharmaceuticals Drug Intermediates and Drug Substances (Active Pharmaceuticals Ingredients) in a timely manner to meet customer requirements. We are manufacturer of many pharmaceuticals Drug Intermediates and Drug Substances (Active Pharmaceuticals Ingredients) in a timely manner.
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