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CAS 1414976-14-9 manufacturers and suppliers on PharmaCompass

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CAS 1414976-14-9
Also known as: 1414976-14-9, Methyl (2r)-2-amino-3-(7-methyl-1h-indazol-5-yl)propanoate dihydrochloride, Schembl18788018, Cs-0337348, (r)-methyl 2-amino-3-(7-methyl-1h-indazol-5-yl)propanoate 2hcl, (r)-methyl2-amino-3-(7-methyl-1h-indazol-5-yl)propanoatedihydrochloride
Molecular Formula
C12H17Cl2N3O2
Molecular Weight
306.19  g/mol
InChI Key
YOQMELLFPVXRPG-YQFADDPSSA-N

1 2D Structure

CAS 1414976-14-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl (2R)-2-amino-3-(7-methyl-1H-indazol-5-yl)propanoate;dihydrochloride
2.1.2 InChI
InChI=1S/C12H15N3O2.2ClH/c1-7-3-8(5-10(13)12(16)17-2)4-9-6-14-15-11(7)9;;/h3-4,6,10H,5,13H2,1-2H3,(H,14,15);2*1H/t10-;;/m1../s1
2.1.3 InChI Key
YOQMELLFPVXRPG-YQFADDPSSA-N
2.1.4 Canonical SMILES
CC1=CC(=CC2=C1NN=C2)CC(C(=O)OC)N.Cl.Cl
2.1.5 Isomeric SMILES
CC1=CC(=CC2=C1NN=C2)C[C@H](C(=O)OC)N.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1414976-14-9

2. Methyl (2r)-2-amino-3-(7-methyl-1h-indazol-5-yl)propanoate Dihydrochloride

3. Schembl18788018

4. Cs-0337348

5. (r)-methyl 2-amino-3-(7-methyl-1h-indazol-5-yl)propanoate 2hcl

6. (r)-methyl2-amino-3-(7-methyl-1h-indazol-5-yl)propanoatedihydrochloride

7. Methyl (r)-2-amino-3-(7-methyl-1h-indazol-5-yl)propanoate Dihydrochloride

2.3 Create Date
2013-10-25
3 Chemical and Physical Properties
Molecular Weight 306.19 g/mol
Molecular Formula C12H17Cl2N3O2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area81
Heavy Atom Count19
Formal Charge0
Complexity285
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
Flag China
Digital Content Digital Content
URL Supplier Web Content
1414976-14-9
Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzh...
Porton Pharma Solutions Ltd. was founded in 2005, & the company's stock was successfully listed in Shenzhen Stock Exchange in 2014. Our R&D, manufacturing & operation facilities are located in China, Slovenia, the US, Belgium, Switzerland, Denmark, with more than 6000 employees worldwide. Porton leads the way with its excellent CDMO services, but also supplies APIs & intermediates for the treatment of critical diseases such as HIV/AIDS, diabetes, cancer, & influenza. Our Process Technology Centers & WHO/USFDA/EMA/PDMA/NMPA-inspected Facilities feature state-of-the-art equipment, highly flexible cGMP-compliant production assets.
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