BENZOIC ACID, 5-(AMINOSULFONYL)-2,3-DIMETHOXY-, METHYL ESTER
Also: METHYL 2,3-DIMETHOXY-5-SULPHAMOYLBENZOATE, METHYL 5-(AMINOSULFONYL)-2,3-DIMETHOXYBENZOATE
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- b0b9c697-9d8f-42e0-af7e-5a177faa0cb0
- Version
- 7
- UNII
- DMX2FPR856
- Codes
- Uuid
- 59c6ca3d-bfeb-44b7-90bd-3e103a302c6f
- Code
- 66644-82-4
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=66644-82-4
- Code system
- CAS
- References
- 3a30ccaf-7b5b-4691-bb90-7f7c2eca7d8b, eaead2e6-2732-4e4d-8380-c93bbe42a57b
- Uuid
- 0390480e-c4ae-f948-b47d-afe11c07f592
- Code
- 3017699
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/3017699
- Code system
- PUBCHEM
- References
- 6addfb19-073e-6690-2cec-4520e19b53cc
- Uuid
- 564e09f9-762c-440b-9f3b-5af0ef6a3e1a
- Code
- DMX2FPR856
- Type
- PRIMARY
- Code system
- FDA UNII
- References
- eaead2e6-2732-4e4d-8380-c93bbe42a57b
- Uuid
- 4ed990e2-1bd5-fb2b-c4f4-d89e3f6afc63
- Code
- DTXSID00985227
- Type
- PRIMARY
- Url
- https://comptox.epa.gov/dashboard/chemical/details/DTXSID00985227
- Code system
- EPA CompTox
- Names
- Uuid
- e6b4eb26-f9da-46de-989f-1ad6833206b9
- Name
- BENZOIC ACID, 5-(AMINOSULFONYL)-2,3-DIMETHOXY-, METHYL ESTER
- StdName
- BENZOIC ACID, 5-(AMINOSULFONYL)-2,3-DIMETHOXY-, METHYL ESTER
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- eaead2e6-2732-4e4d-8380-c93bbe42a57b
- Uuid
- 0e6d4104-25e3-4722-ac5d-3251a3fab39f
- Name
- METHYL 2,3-DIMETHOXY-5-SULPHAMOYLBENZOATE
- StdName
- METHYL 2,3-DIMETHOXY-5-SULPHAMOYLBENZOATE
- Type
- sys
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- 3a30ccaf-7b5b-4691-bb90-7f7c2eca7d8b
- Uuid
- 88536754-dcb9-4e7e-b036-76090da829cd
- Name
- METHYL 5-(AMINOSULFONYL)-2,3-DIMETHOXYBENZOATE
- StdName
- METHYL 5-(AMINOSULFONYL)-2,3-DIMETHOXYBENZOATE
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- eaead2e6-2732-4e4d-8380-c93bbe42a57b
- References
- Uuid
- 3a30ccaf-7b5b-4691-bb90-7f7c2eca7d8b
- Citation
- CHEMID
- Doc type
- CHEMID
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Uuid
- eaead2e6-2732-4e4d-8380-c93bbe42a57b
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Uuid
- 6addfb19-073e-6690-2cec-4520e19b53cc
- Citation
- PUBCHEM
- Doc type
- PUBCHEM
- Public domain
- true
- Moieties
- Uuid
- 37d651c6-dcb9-4232-8035-29ecf4be92c7
- ID
- 37d651c6-dcb9-4232-8035-29ecf4be92c7
- Smiles
- COc1cc(cc(c1OC)C(=O)OC)S(=O)(=O)N
- Formula
- C10H13NO6S
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 275.2798
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132102582D 18 18 0 0 0 0 999 V2000 2.8038 -1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 -1.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 -2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 -2.8251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 -2.4126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 -1.5876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 -1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0893 -1.5876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 -0.3500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6617 -1.1751 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.0743 -1.8895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2493 -0.4606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3763 -0.7626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2328 -3.6502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9473 -4.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 -2.8251 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 -3.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5183 0.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 9 18 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- 2661c6ac-94d8-477a-a5eb-75a363638d1a
- Structure
- ID
- 29826bea-67ef-41e6-9382-f46da65a82e6
- Smiles
- COc1cc(cc(c1OC)C(=O)OC)S(=O)(=O)N
- Formula
- C10H13NO6S
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 275.2798
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
Marvin 01132102162D 18 18 0 0 0 0 999 V2000 11.8811 -3.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5955 -3.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5955 -4.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 -4.8949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0245 -4.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0245 -3.6574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 -3.2449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1665 -3.6574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8811 -2.4199 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7389 -3.2449 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1515 -3.9594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3265 -2.5305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4535 -2.8324 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3101 -5.7200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0245 -6.1326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8811 -4.8949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8811 -5.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5955 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 2 7 2 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 10 11 2 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 6 10 1 0 0 0 0 14 15 1 0 0 0 0 4 14 1 0 0 0 0 16 17 1 0 0 0 0 3 16 1 0 0 0 0 9 18 1 0 0 0 0 M END
- References
- 3a30ccaf-7b5b-4691-bb90-7f7c2eca7d8b