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CAS 1025716-99-7 manufacturers and suppliers on PharmaCompass

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CAS 1025716-99-7
Also known as: 1025716-99-7, Schembl533661, Akos015890561, C14024, Methyl 3-guanidino-4-methylbenzoate mononitrate, 3-(aminoiminomethylamino)-4-methylbenzoic acid methyl ester nitrate
Molecular Formula
C10H14N4O5
Molecular Weight
270.24  g/mol
InChI Key
SFHRCNFZNRMPOT-UHFFFAOYSA-N

1 2D Structure

CAS 1025716-99-7

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 3-(diaminomethylideneamino)-4-methylbenzoate;nitric acid
2.1.2 InChI
InChI=1S/C10H13N3O2.HNO3/c1-6-3-4-7(9(14)15-2)5-8(6)13-10(11)12;2-1(3)4/h3-5H,1-2H3,(H4,11,12,13);(H,2,3,4)
2.1.3 InChI Key
SFHRCNFZNRMPOT-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=C(C=C(C=C1)C(=O)OC)N=C(N)N.[N+](=O)(O)[O-]
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1025716-99-7

2. Schembl533661

3. Akos015890561

4. C14024

5. Methyl 3-guanidino-4-methylbenzoate Mononitrate

6. 3-(aminoiminomethylamino)-4-methylbenzoic Acid Methyl Ester Nitrate

2.3 Create Date
2010-09-07
3 Chemical and Physical Properties
Molecular Weight 270.24 g/mol
Molecular Formula C10H14N4O5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass270.09641956 g/mol
Monoisotopic Mass270.09641956 g/mol
Topological Polar Surface Area157 Ų
Heavy Atom Count19
Formal Charge0
Complexity286
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
Flag South Korea
Digital Content Digital Content
URL Supplier Web Content
641571-11-1
Nilotinib
ESTECHPHARMA CO.,LTD., as one of the active pharmaceutical company, is remarkably growing more than 30% e...
ESTECHPHARMA CO.,LTD., as one of the active pharmaceutical company, is remarkably growing more than 30% every year by concentrating all our efforts into developing new technologies by investing more than 15% of the annual turnover into R&D since our foundation in 1996. That is company ideology, challenge and creation. We've succeeded in synthesizing 40 kinds of APIs like Anti-inflammatory medicine, Anti-ulcerants, Anti-hepatitis, Treatments of Alcoholism, and etc secondly or thirdly in the world or firstly in Korea, and have been producing and supplying continuously to our customers.
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