1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(6Z)-3-(2-ethylhexoxy)-6-[(4Z)-4-[4-(2-ethylhexoxy)-6-oxocyclohexa-2,4-dien-1-ylidene]-6-(4-methoxyphenyl)-1H-1,3,5-triazin-2-ylidene]cyclohexa-2,4-dien-1-one

2.1.2 InChI

InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,41H,6-13,24-25H2,1-5H3,(H,39,40)/b37-32+,38-33+

2.1.3 InChI Key

LCULPNBYCKULDR-VGWJSVSZSA-N

2.1.4 Canonical SMILES

CCCCC(CC)COC1=CC(=O)C(=C2NC(=C3C=CC(=CC3=O)OCC(CC)CCCC)N=C(N2)C4=CC=C(C=C4)OC)C=C1

2.1.5 Isomeric SMILES

CCCCC(CC)COC1=CC(=O)/C(=C\2/N/C(=C/3\C=CC(=CC3=O)OCC(CC)CCCC)/N=C(N2)C4=CC=C(C=C4)OC)/C=C1

2.2 Create Date

2006-11-22

3 Chemical and Physical Properties

Molecular Formula	C₃₈H₄₉N₃O₅
Molecular Weight	627.8 g/mol
XLogP3	8.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	16
Exact Mass	627.36722167 g/mol
Monoisotopic Mass	627.36722167 g/mol
Topological Polar Surface Area	98.2 A^2
Heavy Atom Count	46
Formal Charge	0
Complexity	1290
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Bemotrizinol

Bemotrizinol

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ACTIVE PHARMA INGREDIENTS

1 API Suppliers

1 Listed Suppliers

$ API Reference Price

FINISHED DOSAGE FORMULATIONS

19 FDF Dossiers

19 Canada

RELATED EXCIPIENT COMPANIES

1 Rochem International Inc

6 SPI Pharma

2 Seqens

5 DKSH

1 Pharm-RX Chemical

1 Gangwal Healthcare

2 Nanjing Well Pharmaceutical

1 Pfanstiehl

9 Actylis

1 Anhui Sunhere Pharmaceutical Excipients Co.,Ltd

21 BASF

1 BioSpectra

2 Finar

3 Gangwal Chemicals

7 Kerry

3 Microlex e.U

2 Nippon Fine Chemical

2 Nomisma Healthcare

1 Pluviaendo

4 Roquette

3 Seppic

2 Shandong Focus Biotechnology Co., Ltd

1 Sigachi Industries

1 Valens Pharmachem

EXCIPIENTS BY APPLICATIONS

32 Topical

13 Thickeners and Stabilizers

11 Solubilizers

10 Coating Systems & Additives

10 Parenteral

9 Co-Processed Excipients

9 Film Formers & Plasticizers

8 Emulsifying Agents

7 Controlled & Modified Release

6 Lubricants & Glidants

5 Direct Compression

5 Surfactant & Foaming Agents

3 Granulation

3 Fillers, Diluents & Binders

2 Rheology Modifiers

2 API Stability Enhancers

1 Chewable & Orodispersible Aids

1 Taste Masking

REF. STANDARDS & IMPURITIES

2 USP

2 Others

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