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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H17NO3.ClH
Molecular Weight 259.729
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DEACETYLANISOMYCIN HYDROCHLORIDE

SMILES

Cl.COC1=CC=C(C[C@H]2NC[C@H](O)[C@H]2O)C=C1

InChI

InChIKey=IXNBCFNTSIHJPF-FVDRTDNTSA-N
InChI=1S/C12H17NO3.ClH/c1-16-9-4-2-8(3-5-9)6-10-12(15)11(14)7-13-10;/h2-5,10-15H,6-7H2,1H3;1H/t10-,11+,12+;/m1./s1

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H17NO3
Molecular Weight 223.2683
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:43:08 GMT 2023
Edited
by admin
on Sat Dec 16 11:43:08 GMT 2023
Record UNII
LP25N3D1I3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DEACETYLANISOMYCIN HYDROCHLORIDE
Common Name English
3,4-PYRROLIDINEDIOL, 2-((4-METHOXYPHENYL)METHYL)-, HYDROCHLORIDE, (2R-(2.ALPHA.,3.ALPHA.,4.BETA.))-
Systematic Name English
3,4-PYRROLIDINEDIOL, 2-((4-METHOXYPHENYL)METHYL)-, HYDROCHLORIDE (1:1), (2R,3S,4S)-
Systematic Name English
Code System Code Type Description
CAS
1963-47-9
Created by admin on Sat Dec 16 11:43:08 GMT 2023 , Edited by admin on Sat Dec 16 11:43:08 GMT 2023
PRIMARY
PUBCHEM
123133556
Created by admin on Sat Dec 16 11:43:08 GMT 2023 , Edited by admin on Sat Dec 16 11:43:08 GMT 2023
PRIMARY
FDA UNII
LP25N3D1I3
Created by admin on Sat Dec 16 11:43:08 GMT 2023 , Edited by admin on Sat Dec 16 11:43:08 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE