Substances (GSRS)

METHINDETHYRIUM CATION

Also: METHINDETHYRIUM ION, PYRIDINIUM, 4-(2-(1-METHYL-1H-INDOL-3-YL)ETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)-

chemicalUNII 5ZB71W73QJ

Open FDA's page for this record

Substance class

chemical

Definition type

PRIMARY

Definition level

COMPLETE

Uuid

65684db2-0d80-4dc5-97dd-9aa190af8bb9

Version

UNII

5ZB71W73QJ

Codes

Uuid
ba1712ec-bc7f-4b44-ad7b-b67f9a53f239
Code
793603-48-2
Type
PRIMARY
Url
https://commonchemistry.cas.org/detail?cas_rn=793603-48-2
Code system
CAS
References
765e20ee-3f04-4c2b-bab9-283c5dc6ee11, 15224ec6-520e-4916-94c2-2e4ace0d31e2
Uuid
ab1d7d3e-803b-4aca-ba31-72d279ed1312
Code
18904
Type
PRIMARY
Url
https://pubchem.ncbi.nlm.nih.gov/compound/18904
Code system
PUBCHEM
References
765e20ee-3f04-4c2b-bab9-283c5dc6ee11
Uuid
1576710b-7b33-4114-8201-c7382ccf05d3
Code
5ZB71W73QJ
Type
PRIMARY
Code system
FDA UNII

Relationships

Uuid
a2bd4293-c41b-4055-b43e-2c14df69f619
Type
ACTIVE MOIETY
Related substance
Uuid
71923426-6e73-46a5-8dae-0f27a65f86f0
Refuuid
65684db2-0d80-4dc5-97dd-9aa190af8bb9
Name
METHINDETHYRIUM ION
UNII
5ZB71W73QJ
Linking ID
5ZB71W73QJ
Ref pname
METHINDETHYRIUM ION
Substance class
reference

Names

Uuid
b7b0d3a4-c62e-4f64-aea1-ba71766e6a79
Name
METHINDETHYRIUM CATION
StdName
METHINDETHYRIUM CATION
Type
cn
Preferred
false
Display name
false
Languages
en
References
0c53cf43-fd01-4bc6-a74e-352fe2a0218c, a7a46327-b937-4b8d-9697-1b024d382074
Uuid
a70fe355-8e56-45c5-95ba-084f5aa95352
Name
METHINDETHYRIUM ION
StdName
METHINDETHYRIUM ION
Type
cn
Preferred
false
Display name
true
Languages
en
References
0c53cf43-fd01-4bc6-a74e-352fe2a0218c, a7a46327-b937-4b8d-9697-1b024d382074
Uuid
50d7eea8-b752-41d5-8baa-c403bd97c2e4
Name
PYRIDINIUM, 4-(2-(1-METHYL-1H-INDOL-3-YL)ETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)-
StdName
PYRIDINIUM, 4-(2-(1-METHYL-1H-INDOL-3-YL)ETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)-
Type
sys
Preferred
false
Display name
false
Languages
en
References
f8a4a4b8-082a-466e-9e00-d3d9589d7003, 0c53cf43-fd01-4bc6-a74e-352fe2a0218c

References

Uuid
a7a46327-b937-4b8d-9697-1b024d382074
Citation
FDA_SRS
Doc type
SRS
Public domain
true
Tags
NOMEN, PUBLIC_DOMAIN_RELEASE, AUTO_SELECTED
Uuid
0c53cf43-fd01-4bc6-a74e-352fe2a0218c
Citation
STN (SCIFINDER)
Doc type
STN (SCIFINDER)
Public domain
true
Tags
NOMEN
Uuid
f8a4a4b8-082a-466e-9e00-d3d9589d7003
Citation
STN
Doc type
SRS
Public domain
true
Tags
NOMEN
Uuid
765e20ee-3f04-4c2b-bab9-283c5dc6ee11
Citation
SRS CODE IMPORT
Doc type
SRS
Public domain
true
Document date
1493392032000
Tags
NOMEN
Uuid
ff533929-6af0-49a2-9b61-76e2ed386cf3
Citation
SRS import [5ZB71W73QJ]
Url
http://fdasis.nlm.nih.gov/srs/srsdirect.jsp?regno=5ZB71W73QJ
Doc type
SRS
Public domain
true
Document date
1493392032000
Tags
NOMEN
Uuid
15224ec6-520e-4916-94c2-2e4ace0d31e2
Citation
STN
Doc type
STN (SCIFINDER)
Public domain
true

Moieties

Uuid
bc2f25b6-123f-423c-abad-d370326d5871
ID
bc2f25b6-123f-423c-abad-d370326d5871
Smiles
Cn1cc(CCc2cc[n+](CCC[N+](C)(C)C)cc2)c3ccccc31
Formula
C22H31N3
Atropisomerism
No
Charge
2
Count
1
Stereochemistry
RACEMIC
Defined stereo
0
Ez centers
0
Molecular weight
337.5025
Optical activity
NONE
Stereo centers
0
Molfile
Marvin 01132109442D 25 27 0 0 0 0 999 V2000 2.9388 -4.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7620 -4.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 -5.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0676 -5.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7859 -5.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5037 -5.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2146 -5.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2146 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9248 -6.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6449 -6.2942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.3678 -6.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0799 -6.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7954 -6.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5053 -6.2625 0.0000 N 0 3 0 0 0 0 0 0 0 3 0 0 12.2256 -6.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5053 -5.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 -5.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6449 -5.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9312 -5.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9778 -4.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -3.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 -2.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -3.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 -4.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 0 0 0 0 25 2 1 0 0 0 0 4 3 2 0 0 0 0 5 4 1 0 0 0 0 20 4 1 0 0 0 0 6 5 1 0 0 0 0 7 6 1 0 0 0 0 8 7 1 0 0 0 0 19 7 2 0 0 0 0 9 8 2 0 0 0 0 9 10 1 0 0 0 0 11 10 1 0 0 0 0 10 18 2 0 0 0 0 12 11 1 0 0 0 0 13 12 1 0 0 0 0 14 13 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 18 19 1 0 0 0 0 21 20 1 0 0 0 0 20 25 2 0 0 0 0 22 21 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 24 25 1 0 0 0 0 M CHG 2 10 1 14 1 M END
Count amount
Type
MOL RATIO
Average
1
Units
MOL RATIO
Uuid
4fafa39f-f4c9-46fd-b30e-3bb8fdac662a

Structure

ID: 2027f3c6-4879-4976-b10e-83dd2d92e02a
Smiles: Cn1cc(CCc2cc[n+](CCC[N+](C)(C)C)cc2)c3ccccc31
Formula: C22H31N3
Atropisomerism: No
Charge: 2
Count: 1
Stereochemistry: ACHIRAL
Defined stereo: 0
Ez centers: 0
Molecular weight: 337.5025
Optical activity: NONE
Stereo centers: 0
Molfile: Marvin 01132101492D 25 27 0 0 0 0 999 V2000 3.7620 -4.7969 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0676 -5.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3217 -5.4041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 -4.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9778 -4.2468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6449 -6.2942 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.5053 -6.2625 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7859 -5.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6449 -5.4686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9248 -6.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0799 -6.2838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3678 -6.7027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9388 -4.8946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2146 -5.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5037 -5.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2146 -6.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9312 -5.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7954 -6.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 -3.2994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5247 -3.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 -2.6780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.8427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2256 -6.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5053 -5.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2182 -5.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22 20 2 0 0 0 0 10 6 2 0 0 0 0 2 3 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 5 4 2 0 0 0 0 6 9 1 0 0 0 0 7 18 1 0 0 0 0 8 2 1 0 0 0 0 9 17 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 6 1 0 0 0 0 13 1 1 0 0 0 0 14 15 1 0 0 0 0 15 8 1 0 0 0 0 16 14 2 0 0 0 0 17 14 1 0 0 0 0 18 11 1 0 0 0 0 19 4 1 0 0 0 0 20 5 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 21 19 2 0 0 0 0 7 25 1 0 0 0 0 22 21 1 0 0 0 0 5 2 1 0 0 0 0 M CHG 2 6 1 7 1 M END
References: ff533929-6af0-49a2-9b61-76e2ed386cf3, f8a4a4b8-082a-466e-9e00-d3d9589d7003

Data from openFDA, FDA's public API. FDA says not to rely on it to make decisions about medical care and to treat every result as unvalidated; confirm against FDA's own record and the product labeling. Not medical or legal advice.