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CAS 1392102-38-3 manufacturers and suppliers on PharmaCompass

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CAS 1392102-38-3
Also known as: 1392102-38-3, (6s)-3,10-dibromo-6-phenyl-6h-indolo[1,2-c][1,3]benzoxazine, Schembl17429555, Dtxsid401188112, Amy38696, Cs-m3365
Molecular Formula
C21H13Br2NO
Molecular Weight
455.1  g/mol
InChI Key
KPQPIDWSRMFMHO-NRFANRHFSA-N

1 2D Structure

CAS 1392102-38-3

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6S)-3,10-dibromo-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazine
2.1.2 InChI
InChI=1S/C21H13Br2NO/c22-15-7-9-18-14(10-15)11-19-17-8-6-16(23)12-20(17)25-21(24(18)19)13-4-2-1-3-5-13/h1-12,21H/t21-/m0/s1
2.1.3 InChI Key
KPQPIDWSRMFMHO-NRFANRHFSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)C2N3C4=C(C=C(C=C4)Br)C=C3C5=C(O2)C=C(C=C5)Br
2.1.5 Isomeric SMILES
C1=CC=C(C=C1)[C@H]2N3C4=C(C=C(C=C4)Br)C=C3C5=C(O2)C=C(C=C5)Br
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1392102-38-3

2. (6s)-3,10-dibromo-6-phenyl-6h-indolo[1,2-c][1,3]benzoxazine

3. Schembl17429555

4. Dtxsid401188112

5. Amy38696

6. Cs-m3365

7. Zinc96029281

8. Ac-28952

9. Cs-14984

10. J3.553.190d

11. (6s)-6-phenyl-3,10-dibromoindolo[1,2-c][1,3]benzooxazine

2.3 Create Date
2016-02-23
3 Chemical and Physical Properties
Molecular Weight 455.1 g/mol
Molecular Formula C21H13Br2NO
XLogP36.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass454.93434 g/mol
Monoisotopic Mass452.93639 g/mol
Topological Polar Surface Area14.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
Flag China
Digital Content Digital Content

2,5-Dibromophenylaceticacid

URL Supplier Web Content
203314-28-7
Elbasvir
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic Uni...
Syntame is a Pharm- Heatlh technology company jointly sponsored by two PhD from Hong Kong Polytechnic University & Zhejiang University. We always focus on the market & customer needs, committee to researching, developing & marketing innovative products & services of pharmaceutical & health. Our Pharmaceutical Division: Committed to the R&D, promotion, distribution of APIs & intermediates, to provide various innovative products & technical solutions for China & global pharmaceutical markets. Our Health Division: Continuously tapping the natural active ingredients, combining traditional Chinese medicine theory, to develop functional foods.
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