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CAS 156077-56-4

CAS 156077-56-4

Chemistry, 1 End Use API, 16 Related Intermediates

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CAS 156077-56-4

Also known as: 156077-56-4, Amy5918, Mfcd32898412, 3-(1,4,7,10-tetraaza-1-cyclododecyl)-1,2,4-butanetriol tetrahydrochloride, Ac-31771, Sy286646

Molecular Formula

C₁₂H₃₂Cl₄N₄O₃

Molecular Weight

422.2 g/mol

InChI Key

FYFSGGAVTBSKBV-UHFFFAOYSA-N

1 2D Structure

CAS 156077-56-4

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-(1,4,7,10-tetrazacyclododec-1-yl)butane-1,2,4-triol;tetrahydrochloride

2.1.2 InChI

InChI=1S/C12H28N4O3.4ClH/c17-9-11(12(19)10-18)16-7-5-14-3-1-13-2-4-15-6-8-16;;;;/h11-15,17-19H,1-10H2;4*1H

2.1.3 InChI Key

FYFSGGAVTBSKBV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1CNCCN(CCNCCN1)C(CO)C(CO)O.Cl.Cl.Cl.Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 156077-56-4

2. Amy5918

3. Mfcd32898412

4. 3-(1,4,7,10-tetraaza-1-cyclododecyl)-1,2,4-butanetriol Tetrahydrochloride

5. Ac-31771

6. Sy286646

7. 3-(1,4,7,10-tetrazacyclododec-1-yl)butane-1,2,4-triol;tetrahydrochloride

8. 10-[(1rs,2sr)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecan . 4hcl

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₃₂Cl₄N₄O₃
Molecular Weight	422.2 g/mol
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	422.119902 g/mol
Monoisotopic Mass	420.122852 g/mol
Topological Polar Surface Area	100 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	209
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	5

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Acharya Chemicals

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Acharya Group, providing everything you need in the chemical industry!

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India

Digital Content

1, 4, 7, 10-Tetraazacyclododecane-1, 4, 7, 10-tetraacet...

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CAS Number

60239-18-1

End Use API

Gadobutrol

About the Company

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renow...

Established in 1975, Acharya Group is a trusted and well-established chemical manufacturing company renowned for its commitment to technological excellence. Acharya’s core operations include the production, contract research and custom manufacturing of APIs, intermediates and specialty chemicals. With an annual turnover of ₹125 crores, where more than 90% is generated through global exports, Acharya Group has a proven track record of serving the European and US markets. Equipped with five independent manufacturing facilities, Acharya possesses extensive expertise in handling production across various scales, from laboratory to plant.

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