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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H19NO4.ClH
Molecular Weight 301.766
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-((4-METHOXYPHENYL)METHYL)-3,4-PYRROLIDINEDIOL 3-ACETATE HYDROCHLORIDE, (2S,3R,4R)-

SMILES

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

InChI

InChIKey=GLVJGDLQHBCCEP-SOIKFHLCSA-N
InChI=1S/C14H19NO4.ClH/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10;/h3-6,12-15,17H,7-8H2,1-2H3;1H/t12-,13+,14+;/m0./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 C14H19NO4
Molecular Weight 265.305
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
6CQU2V295F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-((4-METHOXYPHENYL)METHYL)-3,4-PYRROLIDINEDIOL 3-ACETATE HYDROCHLORIDE, (2S,3R,4R)-
Common Name English
3,4-PYRROLIDINEDIOL, 2-((4-METHOXYPHENYL)METHYL)-, 3-ACETATE, HYDROCHLORIDE, (2S,3R,4R)-
Systematic Name English
NSC-147340
Code English
3,4-PYRROLIDINEDIOL, 2-((4-METHOXYPHENYL)METHYL)-, 3-ACETATE, HYDROCHLORIDE, (2S-(2.ALPHA.,3.ALPHA.,4.BETA.))-
Systematic Name English
3,4-PYRROLIDINEDIOL, 2-(P-METHOXYBENZYL)-, 3-ACETATE, HYDROCHLORIDE, CIS-2,3,TRANS-3,4-(-)-
Common Name English
Code System Code Type Description
NSC
147340
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
EPA CompTox
DTXSID00177403
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
462385
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
6CQU2V295F
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
CAS
22862-75-5
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
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