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Chemistry

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Also known as:
Molecular Formula
C42H36CaO18
Molecular Weight
868.8  g/mol
InChI Key
WWBLQFQARJRROH-WTWBKABESA-L

Calcium Sennoside
1 2D Structure

Calcium Sennoside

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;(9R)-9-[(9R)-2-carboxylato-4-hydroxy-10-oxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-anthracen-9-yl]-4-hydroxy-10-oxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-9H-anthracene-2-carboxylate
2.1.2 InChI
InChI=1S/C42H38O18.Ca/c43-11-23-31(47)35(51)37(53)39(59-23)17-5-1-3-15-25(19-7-13(41(55)56)9-21(45)29(19)33(49)27(15)17)26-16-4-2-6-18(40-38(54)36(52)32(48)24(12-44)60-40)28(16)34(50)30-20(26)8-14(42(57)58)10-22(30)46;/h1-10,23-26,31-32,35-40,43-48,51-54H,11-12H2,(H,55,56)(H,57,58);/q;+2/p-2/t23-,24-,25-,26-,31-,32-,35+,36+,37-,38-,39+,40+;/m1./s1
2.1.3 InChI Key
WWBLQFQARJRROH-WTWBKABESA-L
2.1.4 Canonical SMILES
C1=CC2=C(C(=C1)C3C(C(C(C(O3)CO)O)O)O)C(=O)C4=C(C2C5C6=C(C(=CC=C6)C7C(C(C(C(O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)[O-])C=C(C=C4O)C(=O)[O-].[Ca+2]
2.1.5 Isomeric SMILES
C1=CC2=C(C(=C1)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C([C@@H]2[C@@H]5C6=C(C(=CC=C6)[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C(=O)C8=C5C=C(C=C8O)C(=O)[O-])C=C(C=C4O)C(=O)[O-].[Ca+2]
2.2 Create Date
2013-05-09
3 Chemical and Physical Properties
Molecular Weight 868.8 g/mol
Molecular Formula C42H36CaO18
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count18
Rotatable Bond Count4
Exact Mass868.1527551 g/mol
Monoisotopic Mass868.1527551 g/mol
Topological Polar Surface Area335 Ų
Heavy Atom Count61
Formal Charge0
Complexity1520
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2

API SUPPLIERS

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01

Zeon Pharma Industries India Pvt L...

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Virtual BoothZeon Pharma is a manufacturer and supplier of APIs & Intermediates.

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Zeon Pharma Industries India Pvt Ltd

02

Alchem International Private Ltd

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

  • fda
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  • WHO-GMP

Virtual BoothAlchem offers Phytochemical APIs for Pharmaceuticals, Cosmetics and Nutraceuticals// FDA-inspected and EU-GMP certified.

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Pharm-RX Chemical

U.S.A

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Medlab Asia & Asia Health
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04

Cennet Biopharma

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

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Virtual BoothAt Cennet, R&D lies at the core of all our medicinal pursuits.

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Cennet Biopharma CB

05

Alchem International Private Ltd

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

  • fda
  • EDQM
  • WHO-GMP

Virtual BoothAlchem offers Phytochemical APIs for Pharmaceuticals, Cosmetics and Nutraceuticals// FDA-inspected and EU-GMP certified.

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Alchem International Private Ltd

India

USDMF, CEP/COS, JDMF, EU-WC, NDC, KDMF, VMF, Others

  • fda
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Virtual BoothAlchem offers Phytochemical APIs for Pharmaceuticals, Cosmetics and Nutraceuticals// FDA-inspected and EU-GMP certified.

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SAB Herbals & Nutraceuticals

Canada

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SAB Herbals & Nutraceuticals

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Bioprex Labs

India

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Bioprex Labs

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Sunpure Extracts

India

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Sunpure Extracts

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Shashi Phytochemical Industries

India

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Medlab Asia & Asia Health
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Shashi Phytochemical Industries

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API Reference Price

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07-Jan-2021
21-Aug-2024
KGS
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Average Price (USD/KGS)

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Quantity (KGS) & Unit rate (USD/KGS) over time

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