Nome dell'analita

Buprenorphine-d3 Hydrochloride

Numero CAS

1261083-89-9

Formula molecolare

C29H39D3ClNO4

Peso molecolare

507.12

Measured Value

1 mg/mL

Massa accurata

506.2991

SMILES

[H][C@@](C1)(C(C)(O)C(C)(C)C)[C@@](CC2)(OC([2H])([2H])[2H])[C@H]3[C@]([C@@]12[C@H](N4CC5CC5)C6)(CC4)C7=C6C=CC(O)=C7O3.Cl

InChI

InChI=1S/C29H41NO4.ClH/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28;/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3;1H/t20-,21-,24-,26?,27-,28+,29-;/m1./s1/i5D3;

IUPAC

(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-(trideuteriomethoxy)-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol;hydrochloride

CAS alternativo

Free base: 1261108-85-3

CAS non marcato

53152-21-9

Tipologia SIL

Deuterium

Paese di origine

CANADA

Formato del prodotto

Single Solution

Matrice

Acetonitrile