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Synopsis

Synopsis

ACTIVE PHARMA INGREDIENTS

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CEP/COS

CEP/COS Certifications

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JDMF

JDMFs Filed

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EU WC

EU WC

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KDMF

KDMF

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VMF

NDC API

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API REF. PRICE (USD/KG)

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API

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FDF

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Chemistry

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Also known as: Calcium sodium butrol, Po5286589k, Q27286665, 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid, 10-(2,3-dihydroxy-1-(hydroxymethyl)propyl)-, calcium, sodium salt (1:1), (r*,s*)-(+/-)-
Molecular Formula
C18H31CaN4NaO9
Molecular Weight
510.5  g/mol
InChI Key
YZRJMLDIJKMCBB-FXUMYAARSA-K
FDA UNII
PO5286589K

Calcobutrol Sodium
1 2D Structure

Calcobutrol Sodium

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
calcium;sodium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
2.1.2 InChI
InChI=1S/C18H34N4O9.Ca.Na/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);;/q;+2;+1/p-3/t14-,15-;;/m1../s1
2.1.3 InChI Key
YZRJMLDIJKMCBB-FXUMYAARSA-K
2.1.4 Canonical SMILES
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])C(CO)C(CO)O)CC(=O)[O-].[Na+].[Ca+2]
2.1.5 Isomeric SMILES
C1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Na+].[Ca+2]
2.2 Other Identifiers
2.2.1 UNII
PO5286589K
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Calcium Sodium Butrol

2. Po5286589k

3. Q27286665

4. 1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid, 10-(2,3-dihydroxy-1-(hydroxymethyl)propyl)-, Calcium, Sodium Salt (1:1), (r*,s*)-(+/-)-

2.4 Create Date
2015-03-18
3 Chemical and Physical Properties
Molecular Weight 510.5 g/mol
Molecular Formula C18H31CaN4NaO9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count7
Exact Mass510.1614637 g/mol
Monoisotopic Mass510.1614637 g/mol
Topological Polar Surface Area194 Ų
Heavy Atom Count33
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3

API SUPPLIERS

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01

Biophore India Pharmaceuticals Pvt...

India

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

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AES 2024
Not Confirmed
  • fda
  • EDQM
  • WHO-GMP

Virtual BoothBiophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

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CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
Biophore

02

Hainan Poly Pharm

China

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

AES 2024
Not Confirmed
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Hainan Poly Pharm

China

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

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AES 2024
Not Confirmed
USDMF arrow-down CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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03

MSN Laboratories

India

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

AES 2024
Not Confirmed
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MSN Laboratories

India

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

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AES 2024
Not Confirmed
USDMF arrow-down CEP/COS JDMF EU-WC NDC arrow-down KDMF VMF Others AUDIT
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04

Viwit Pharmaceuticals Limited

China

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

AES 2024
Not Confirmed
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Viwit Pharmaceuticals Limited

China

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

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AES 2024
Not Confirmed
USDMF arrow-down CEP/COS JDMF EU-WC NDC KDMF VMF Others AUDIT
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USDMF

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01

AES 2024
Not Confirmed
  • fda
  • EDQM
  • WHO-GMP

Virtual BoothBiophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

Flag India
Digital Content Digital Content

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 35424

Submission : 2020-12-04

Status : Active

Type : IV

Biophore

02

AES 2024
Not Confirmed

03

AES 2024
Not Confirmed

04

AES 2024
Not Confirmed
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API Reference Price

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29-Dec-2021
21-Jun-2024
KGS
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