分析物名称

Buprenorphine-d4 Hydrochloride

分子式

C29 D4 H37 N O4 . Cl H

分子量

508.13

精确质量测定

507.3053

SMILES

Cl.[2H]C1([2H])C(CN2CC[C@]34[C@H]5Oc6c(O)ccc(C[C@@H]2[C@]37CC[C@@]5(OC)[C@H](C7)[C@](C)(O)C(C)(C)C)c46)C1([2H])[2H]

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/i6D2,7D2;

IUPAC

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

无标签CAS登记号

53152-21-9; 52485-79-7 (as Free Base)

SIL类型

Deuterium

存储温度

-20°C

运输温度

Room Temperature

原产国

CANADA

产品类型

Stable Isotope Labelled

产品形式

Neat

API家族

Buprenorphine