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Chemistry

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Also known as: 9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydroxamic acid, Pica, Schembl5851593, Q27468129, 9h-pyrido[3,4-b]indole-3-carboxamide, 9-[(4-fluorophenyl)methyl]-n-hydroxy-, Zzw
Molecular Formula
C19H14FN3O2
Molecular Weight
335.3  g/mol
InChI Key
ADHFMENDOUEJRK-UHFFFAOYSA-N

PACA
1 2D Structure

PACA

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
9-[(4-fluorophenyl)methyl]-N-hydroxypyrido[3,4-b]indole-3-carboxamide
2.1.2 InChI
InChI=1S/C19H14FN3O2/c20-13-7-5-12(6-8-13)11-23-17-4-2-1-3-14(17)15-9-16(19(24)22-25)21-10-18(15)23/h1-10,25H,11H2,(H,22,24)
2.1.3 InChI Key
ADHFMENDOUEJRK-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2CC4=CC=C(C=C4)F)C(=O)NO
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 9-[(4-fluorophenyl)methyl]pyrido[3,4-b]indole-3-carbohydroxamic Acid

2. Pica

3. Schembl5851593

4. Q27468129

5. 9h-pyrido[3,4-b]indole-3-carboxamide, 9-[(4-fluorophenyl)methyl]-n-hydroxy-

6. Zzw

2.3 Create Date
2005-08-01
3 Chemical and Physical Properties
Molecular Weight 335.3 g/mol
Molecular Formula C19H14FN3O2
XLogP33.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass335.10700486 g/mol
Monoisotopic Mass335.10700486 g/mol
Topological Polar Surface Area67.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity483
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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NO. 45004 83456","address":"3411\/ 1 & 2, G I D C, PHASE-4, VATVA, AHMEDABAD","city":"GUJARAT.","supplier":"R K SYNTHESIS ","supplierCountry":"INDIA","foreign_port":"CHARLESTON","customer":"ARCHROMA US INC","customerCountry":"UNITED STATES","quantity":"718.00","actualQuantity":"718","unit":"KGS","unitRateFc":"9.2","totalValueFC":"6531.9","currency":"USD","unitRateINR":662.30009749303622,"date":"19-Mar-2021","totalValueINR":"475531.47","totalValueInUsd":"6531.9","indian_port":"AHMEDABAD ICD","hs_no":"29242990","bill_no":"9491668","productDescription":"API","marketType":"REGULATED MARKET","country":"UNITED STATES","selfForZScoreResived":"Pharma Grade","supplierPort":"AHMEDABAD ICD","supplierAddress":"3411\/ 1 & 2, G I D C, PHASE-4, VATVA, AHMEDABAD, GUJARAT.","customerAddress":""},{"dataSource":"API Export","activeIngredients":"","year":"2021","qtr":"Q1","strtotime":1616092200,"product":"P-AMINOACETANILIDE (PACA) P.O. 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04-Feb-2021
14-Sep-2024
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