Chemical Compound

(1)BENZOXEPINO(3,4-B)PYRIDINE-7-METHANOL, 5-(3-((4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYL-1-PIPERIDINYL)PROPYLIDENE)-5,11-DIHYDRO-.ALPHA.,.ALPHA.-DIMETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)

CAS Registry Number 891862-87-6
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(1)BENZOXEPINO(3,4-B)PYRIDINE-7-METHANOL, 5-(3-((4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYL-1-PIPERIDINYL)PROPYLIDENE)-5,11-DIHYDRO-.ALPHA.,.ALPHA.-DIMETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT) 结构式
Primary record

(1)BENZOXEPINO(3,4-B)PYRIDINE-7-METHANOL, 5-(3-((4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYL-1-PIPERIDINYL)PROPYLIDENE)-5,11-DIHYDRO-.ALPHA.,.ALPHA.-DIMETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)

库存
5,260 克
纯度
98.4 %
CAS
891862-87-6

化合物标识与属性

CAS
891862-87-6
PubChem CID
11527773
SMILES
CC1(CN(CC[C@@]1(C2=CC=C(C=C2)Cl)O)CC/C=C/3\C4=C(COC5=C3C=C(C=C5)C(C)(C)O)N=CC=C4)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Canonical SMILES
CC(C)(O)c1ccc2c(c1)/C(=C/CCN1CC[C@](O)(c3ccc(Cl)cc3)C(C)(C)C1)c1cccnc1CO2.O=C(O)CC(O)(CC(=O)O)C(=O)O

名称与同义词

  • AVE-9897 citrate
  • MLN-3897 citrate
  • RU8V7KXI4Y
  • UNII-RU8V7KXI4Y
  • CID11527773
  • CID 11527773
  • 891862-87-6
  • (4S)-4-(4-Chlorophenyl)-1-((3E)-3-(9-(1-hydroxy-1-methyl-ethyl)-5H-(1)benzoxepino(3,4-b)pyridin-11-ylidene)propyl)-3,3-dimethyl-piperidin-4-ol; citric acid
  • (1)BENZOXEPINO(3,4-B)PYRIDINE-7-METHANOL, 5-(3-((4S)-4-(4-CHLOROPHENYL)-4-HYDROXY-3,3-DIMETHYL-1-PIPERIDINYL)PROPYLIDENE)-5,11-DIHYDRO-.ALPHA.,.ALPHA.-DIMETHYL-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (1:1) (SALT)
  • (1)Benzoxepino(3,4-b)pyridine-7-methanol, 5-(3-((4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethyl-1-piperidinyl)propylidene)-5,11-dihydro-alpha,alpha-dimethyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)