AG0082A7

Name: Naltrindole (hydrochloride)
Brand: Angene Chemical
SKU: AG0082A7

111469-81-9 | Naltrindole (hydrochloride)

AG0082A7

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CAS Number	111469-81-9
Catalog Number	AG0082A7(AGN-PC-0P22VJ)
Chemical Name	Naltrindole (hydrochloride)
IUPAC Name	22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
InChI	InChI=1S/C26H26N2O3.ClH/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14;/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2;1H
InChI Key	KNJKRQXCFJCQHC-UHFFFAOYSA-N
MDL Number	MFCD00069313
Molecular Formula	C26H27ClN2O3
Molecular Weight	450.9572
SMILES	O[C@]12[C@@]34C=5C(O[C@]3(C6=C(C1)C=7C(N6)=CC=CC7)[H])=C(O)C=CC5C[C@]2(N(CC8CC8)CC4)[H].Cl
Synonyms	Naltrindole hydrochloride, 111469-81-9, NTI, CTK8F1079, DTXSID10585232, MCULE-9602295355, RT-014660, FT-0701458, 22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol hydrochloride, 7-(Cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol--hydrogen chloride (1/1), Naltrindole,

Complexity	774
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	450.171g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	450.963g/mol
Monoisotopic Mass	450.171g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	68.7A^2
Undefined Atom Stereocenter Count	4
Undefined Bond Stereocenter Count	0

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited