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Details

Stereochemistry MIXED
Molecular Formula C12H14O4
Molecular Weight 222.2372
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HELIOTROPINE BUTANE-2,3-DIOL ACETAL

SMILES

CC1OC(OC1C)C2=CC3=C(OCO3)C=C2

InChI

InChIKey=DBRCQKKPPIQWBT-UHFFFAOYSA-N
InChI=1S/C12H14O4/c1-7-8(2)16-12(15-7)9-3-4-10-11(5-9)14-6-13-10/h3-5,7-8,12H,6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C12H14O4
Molecular Weight 222.2372
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:06:29 GMT 2023
Edited
by admin
on Sat Dec 16 10:06:29 GMT 2023
Record UNII
7Y4ZV19ZDP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
HELIOTROPINE BUTANE-2,3-DIOL ACETAL
Common Name English
NSC-15692
Code English
1,3-BENZODIOXOLE, 5-(4,5-DIMETHYL-1,3-DIOXOLAN-2-YL)-
Systematic Name English
1,3-DIOXOLANE, 4,5-DIMETHYL-2-(3,4-(METHYLENEDIOXY)PHENYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
7Y4ZV19ZDP
Created by admin on Sat Dec 16 10:06:29 GMT 2023 , Edited by admin on Sat Dec 16 10:06:29 GMT 2023
PRIMARY
DAILYMED
7Y4ZV19ZDP
Created by admin on Sat Dec 16 10:06:29 GMT 2023 , Edited by admin on Sat Dec 16 10:06:29 GMT 2023
PRIMARY
PUBCHEM
225856
Created by admin on Sat Dec 16 10:06:29 GMT 2023 , Edited by admin on Sat Dec 16 10:06:29 GMT 2023
PRIMARY
CAS
6412-69-7
Created by admin on Sat Dec 16 10:06:29 GMT 2023 , Edited by admin on Sat Dec 16 10:06:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID00280148
Created by admin on Sat Dec 16 10:06:29 GMT 2023 , Edited by admin on Sat Dec 16 10:06:29 GMT 2023
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NSC
15692
Created by admin on Sat Dec 16 10:06:29 GMT 2023 , Edited by admin on Sat Dec 16 10:06:29 GMT 2023
PRIMARY
RXCUI
2467279
Created by admin on Sat Dec 16 10:06:29 GMT 2023 , Edited by admin on Sat Dec 16 10:06:29 GMT 2023
PRIMARY