Chemical Compound

(1S,2S,13R,21R)-22-(cyclopropylmethyl)-9-isothiocyanato-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(25),16,18-heptaene-2,16-diol

CAS Registry Number 126876-64-0
(1S,2S,13R,21R)-22-(cyclopropylmethyl)-9-isothiocyanato-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(25),16,18-heptaene-2,16-diol 结构式
Primary record

(1S,2S,13R,21R)-22-(cyclopropylmethyl)-9-isothiocyanato-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(25),16,18-heptaene-2,16-diol

库存
5,706 克
纯度
99.8 %
CAS
126876-64-0

化合物标识与属性

CAS
126876-64-0
PubChem CID
10344703
SMILES
C1CC1CN2CC[C@]34[C@@H]5C6=C(C[C@]3([C@H]2CC7=C4C(=C(C=C7)O)O5)O)C8=C(N6)C(=CC=C8)N=C=S
Canonical SMILES
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(N=C=S)cccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314

名称与同义词

  • Naltrindole 5'-isothiocyanate
  • 7 -Isothiocyanatonaltrindole
  • NALTRINDOLE ISOTHIOCYANATE
  • SCHEMBL29409661
  • C27-H25-N3-O3-S
  • ZINC13651052
  • CID10344703
  • NCGC00485321-01
  • CID 10344703
  • J515.350F
  • 126876-64-0
  • (1S,2S,13R,21R)-22-(cyclopropylmethyl)-9-isothiocyanato-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(25),16,18-heptaene-2,16-diol
  • (4bS,8R)-7-Cyclopropylmethyl-13-isothiocyanato-5,6,7,8,14,14bbeta-hexahydro-4,8alpha-methanobenzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8abeta(9H)-diol