3-(Butylamino)-5-[(butylamino)sulfonyl]-4-phenoxybenzoic acid
Also: Benzoic acid, 3-(butylamino)-5-(butylsulfamoyl)-4-phenoxy-, Benzoic acid, 3-(butylamino)-5-[(butylamino)sulfonyl]-4-phenoxy-
Open FDA's page for this record- Substance class
- chemical
- Definition type
- PRIMARY
- Definition level
- COMPLETE
- Uuid
- b87e4a5e-1171-45f2-adaf-a112a249fc75
- Version
- 4
- UNII
- U5UPB5L6SH
- Codes
- Uuid
- 8e23c14b-e7b5-4028-bda9-4dc65061c6e6
- Code
- 28469-01-4
- Type
- PRIMARY
- Url
- https://commonchemistry.cas.org/detail?cas_rn=28469-01-4
- Code system
- CAS
- References
- be8cbdd7-3eb7-44f7-bc77-6577210f5f13
- Uuid
- e9f8c548-0dc8-86cc-5990-955c3c5d29db
- Code
- 16414021
- Type
- PRIMARY
- Url
- https://pubchem.ncbi.nlm.nih.gov/compound/16414021
- Code system
- PUBCHEM
- References
- 9bcceefb-2cbb-e6bd-672e-41d6c850c611
- Uuid
- 99df6de7-e57e-43d2-a3be-6c778b1da5d7
- Code
- U5UPB5L6SH
- Type
- PRIMARY
- Code system
- FDA UNII
- Names
- Uuid
- 9ff78ea8-f872-4baa-9e3e-81c7afbf0ebe
- Name
- 3-(Butylamino)-5-[(butylamino)sulfonyl]-4-phenoxybenzoic acid
- StdName
- 3-(BUTYLAMINO)-5-((BUTYLAMINO)SULFONYL)-4-PHENOXYBENZOIC ACID
- Type
- sys
- Preferred
- false
- Display name
- true
- Languages
- en
- References
- be8cbdd7-3eb7-44f7-bc77-6577210f5f13
- Uuid
- e1cef0ca-aea9-4387-a7bb-0b547dd6c736
- Name
- Benzoic acid, 3-(butylamino)-5-(butylsulfamoyl)-4-phenoxy-
- StdName
- BENZOIC ACID, 3-(BUTYLAMINO)-5-(BUTYLSULFAMOYL)-4-PHENOXY-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- be8cbdd7-3eb7-44f7-bc77-6577210f5f13
- Uuid
- 4f3e1314-1191-4da6-b632-4526b31f43ea
- Name
- Benzoic acid, 3-(butylamino)-5-[(butylamino)sulfonyl]-4-phenoxy-
- StdName
- BENZOIC ACID, 3-(BUTYLAMINO)-5-((BUTYLAMINO)SULFONYL)-4-PHENOXY-
- Type
- sys
- Preferred
- false
- Display name
- false
- Languages
- en
- References
- be8cbdd7-3eb7-44f7-bc77-6577210f5f13
- References
- Uuid
- be8cbdd7-3eb7-44f7-bc77-6577210f5f13
- Citation
- STN
- Doc type
- STN (SCIFINDER)
- Public domain
- true
- Tags
- PUBLIC_DOMAIN_RELEASE
- Uuid
- 9bcceefb-2cbb-e6bd-672e-41d6c850c611
- Citation
- PUBCHEM
- Doc type
- PUBCHEM
- Public domain
- true
- Moieties
- Uuid
- 7251a7fb-d4fe-4006-8287-ff20ddc634e3
- ID
- 7251a7fb-d4fe-4006-8287-ff20ddc634e3
- Smiles
- CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)NCCCC)C(=O)O
- Formula
- C21H28N2O5S
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 420.5243
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
3-(Butylamino)-5-[(butylamino)sulfonyl]-4-phenoxybenzoic acid CDK 07102413372D 28469-01-4 Copyright (C) 2024 ACS 29 30 0 0 0 0 0 0 0 0999 V2000 8.0023 6.9302 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6697 5.3901 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0035 6.1601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4397 4.0564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8996 6.7238 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3372 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6708 6.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0045 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3383 6.1601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3348 5.3901 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 4.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6675 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3338 4.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0023 0.7700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0023 5.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 4.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 4.6201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3360 3.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 3.0801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0023 2.3101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 7.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6687 9.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3348 6.9302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3348 10.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 7.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0012 9.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 19 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 M END
- Count amount
- Type
- MOL RATIO
- Average
- 1
- Units
- MOL RATIO
- Uuid
- d269d4c8-3ba0-4131-b432-188532583525
- Structure
- ID
- f51113b6-36e1-4558-9a8a-d5b6b88419c3
- Smiles
- CCCCNc1cc(cc(c1Oc2ccccc2)S(=O)(=O)NCCCC)C(=O)O
- Formula
- C21H28N2O5S
- Atropisomerism
- No
- Charge
- 0
- Count
- 1
- Stereochemistry
- ACHIRAL
- Defined stereo
- 0
- Ez centers
- 0
- Molecular weight
- 420.5243
- Optical activity
- NONE
- Stereo centers
- 0
- Molfile
3-(Butylamino)-5-[(butylamino)sulfonyl]-4-phenoxybenzoic acid JSDraw207102413372D 29 30 0 0 0 0 0 V2000 21.1645 -5.7459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8665 -7.3060 0.0000 S 0 0 0 0 0 0 6 0 0 0 0 0 25.2176 -6.5260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.6465 -8.6570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0864 -5.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5686 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9195 -6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2705 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6216 -6.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4624 -7.3060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.1115 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7605 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4095 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0584 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1645 -11.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5155 -12.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8136 -12.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1645 -7.3060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5155 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8136 -8.0860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5155 -9.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8136 -9.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1645 -10.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8136 -4.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8136 -3.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4624 -5.7459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4624 -2.6260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1115 -4.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1115 -3.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 19 1 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 M END
- References
- be8cbdd7-3eb7-44f7-bc77-6577210f5f13