Pmc Isochem

CAS 1392102-38-3

Chemistry, 1 End Use API, 7 Related Intermediates

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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 Formula	C₂₁H₁₃Br₂NO
Molecular Weight	455.1 g/mol
XLogP3	6.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	454.93434 g/mol
Monoisotopic Mass	452.93639 g/mol
Topological Polar Surface Area	14.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	483
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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

74761-42-5

End Use API

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, ...

PMC Isochem is a CDMO company acquired by PMC International in 2017. It manufactures cGMP intermediates, active pharmaceutical ingredients and functional excipients for pharmaceutical and personal care companies worldwide. Its business includes research, product and process development, pilot-scale, industrial production and regulatory approvals support. It adds value to its clients' intellectual property through constant innovation in manufacturing techniques throughout the product life cycle. PMC Isochem's facilities are located within 60 miles of Paris and are all US FDA-audited plants.