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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H29N2O4.HO
Molecular Weight 402.484
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ECHITAMINE HYDROXIDE

SMILES

[OH-].COC(=O)[C@]1(CO)[C@H]2C[C@H](O)[C@@]34NC5=C(C=CC=C5)[C@@]13CC[N@@+]4(C)C\C2=C\C

InChI

InChIKey=QKJSAKQRGDMLMG-CPPNUAKTSA-M
InChI=1S/C22H29N2O4.H2O/c1-4-14-12-24(2)10-9-21-15-7-5-6-8-17(15)23-22(21,24)18(26)11-16(14)20(21,13-25)19(27)28-3;/h4-8,16,18,23,25-26H,9-13H2,1-3H3;1H2/q+1;/p-1/b14-4-;/t16-,18-,20-,21-,22-,24-;/m0./s1

HIDE SMILES / InChI

Molecular Formula HO
Molecular Weight 17.0073
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C22H29N2O4
Molecular Weight 385.4767
Charge 1
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 5 / 6
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:10:03 GMT 2023
Edited
by admin
on Sat Dec 16 09:10:03 GMT 2023
Record UNII
R1ZC0A109N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ECHITAMINE HYDROXIDE
MI  
Common Name English
ECHITAMINE, HYDROXIDE
Common Name English
ECHITAMINE HYDROXIDE [MI]
Common Name English
2,4(1H)-CYCLO-3,4-SECOAKUAMMILANIUM, 3,17-DIHYDROXY-16-(METHOXYCARBONYL)-4-METHYL-, HYDROXIDE, (3.BETA.,16R)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m4817
Created by admin on Sat Dec 16 09:10:04 GMT 2023 , Edited by admin on Sat Dec 16 09:10:04 GMT 2023
PRIMARY Merck Index
PUBCHEM
131635476
Created by admin on Sat Dec 16 09:10:04 GMT 2023 , Edited by admin on Sat Dec 16 09:10:04 GMT 2023
PRIMARY
CAS
464-20-0
Created by admin on Sat Dec 16 09:10:04 GMT 2023 , Edited by admin on Sat Dec 16 09:10:04 GMT 2023
PRIMARY
FDA UNII
R1ZC0A109N
Created by admin on Sat Dec 16 09:10:04 GMT 2023 , Edited by admin on Sat Dec 16 09:10:04 GMT 2023
PRIMARY