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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H30N2O5
Molecular Weight 414.4947
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL RESERPATE

SMILES

[H][C@]12C[C@@H](O)[C@H](OC)[C@@H](C(=O)OC)[C@@]1([H])C[C@@]3([H])N(CCC4=C3NC5=C4C=CC(OC)=C5)C2

InChI

InChIKey=MDJQWFFIUHUJSB-UQVJXISSSA-N
InChI=1S/C23H30N2O5/c1-28-13-4-5-14-15-6-7-25-11-12-8-19(26)22(29-2)20(23(27)30-3)16(12)10-18(25)21(15)24-17(14)9-13/h4-5,9,12,16,18-20,22,24,26H,6-8,10-11H2,1-3H3/t12-,16+,18-,19-,20+,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C23H30N2O5
Molecular Weight 414.4947
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:52:35 GMT 2023
Edited
by admin
on Fri Dec 15 15:52:35 GMT 2023
Record UNII
TIB2VC9239
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL RESERPATE
Common Name English
NSC-81464
Code English
METHYLRESERPATE
Common Name English
3-.BETA.,20-.ALPHA.-YOHIMBAN-16-.BETA.-CARBOXYLIC ACID, 18-.BETA.-HYDROXY- 11,17-.ALPHA.-DIMETHOXY-, METHYL ESTER
Common Name English
RESERPIC ACID METHYL ESTER
MI  
Common Name English
RESERPIC ACID METHYL ESTER [MI]
Common Name English
Code System Code Type Description
ECHA (EC/EINECS)
220-792-3
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
FDA UNII
TIB2VC9239
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
NSC
81464
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
MERCK INDEX
m9533
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY Merck Index
CAS
2901-66-8
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID60951620
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY
PUBCHEM
73532
Created by admin on Fri Dec 15 15:52:35 GMT 2023 , Edited by admin on Fri Dec 15 15:52:35 GMT 2023
PRIMARY