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AG00FBZM

Name: Calcitetrol
Brand: Angene Chemical
SKU: AG00FBZM

72203-93-1 | Calcitetrol

Chemical structure of Calcitetrol, CAS 72203-93-1

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CAS Number	72203-93-1
Catalog Number	AG00FBZM(AGN-PC-0U04VJ)
Chemical Name	Calcitetrol
IUPAC Name	(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-5,6-dihydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
InChI	InChI=1S/C27H44O4/c1-17(8-13-25(30)26(3,4)31)22-11-12-23-19(7-6-14-27(22,23)5)9-10-20-15-21(28)16-24(29)18(20)2/h9-10,17,21-25,28-31H,2,6-8,11-16H2,1,3-5H3/b19-9+,20-10-/t17-,21-,22-,23+,24+,25?,27-/m1/s1
InChI Key	WFZKUWGUJVKMHC-QPGHTDHKSA-N
MDL Number	MFCD22124496
Molecular Formula	C27H44O4
Molecular Weight	432.6359
SMILES	C[C@@]12[C@](\C(=C\C=C\3/C(=C)[C@@H](O)C[C@H](O)C3)\CCC1)(CC[C@@]2([C@@H](CCC(C(C)(C)O)O)C)[H])[H]
Synonyms	1,24,25-trihydroxycholecalciferol, 1,24,25-trihydroxyvitamin D3, 1,24,25-trihydroxyvitamin D3, (1alpha,3beta,5Z,7E)-isomer, 1,24,25-trihydroxyvitamin D3, (1alpha,3beta,5Z,7E,24R)-isomer, 1,24,25-trihydroxyvitamin D3, (1alpha,3beta,5Z,7E,24S)-isomer, 1,24,25-trihydroxyvitamin D3, (3beta,5Z,7E,24R)-isomer, calcitetrol, 72203-93-1, 1,24,25-trihydroxyvitamin D3, 1,24,25-Trihydroxycholecalciferol, 50648-94-7, 1\|A, 24, 25-Trihydroxy VD3, SCHEMBL4874710, DTXSID40432720, 3513AH, AKOS025401837, CS-0808, AC-26344, HY-15157, W-5882, (3beta,5Z,7E)-9,10-Secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol, C27H44O4, LMST03020294, CID9910685, C013721, 1,24,25-trihydroxyvitamin D3, (1alpha,3beta,5Z,7E)-isomer, 1,24,25-trihydroxyvitamin D3, (3beta,5Z,7E,24R)-isomer, 1,24,25-trihydroxyvitamin D3, (1alpha,3beta,5Z,7E,24R)-isomer, 1,24,25-trihydroxyvitamin D3, (1alpha,3beta,5Z,7E,24S)-isomer, (3 beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,24,25- tetrol,

Complexity	721
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	6
Defined Bond Stereocenter Count	2
Exact Mass	432.324g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	432.645g/mol
Monoisotopic Mass	432.324g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	80.9A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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CERTIFICATE OF ANALYSIS

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Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

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Angene International Limited