기본 정보
- CAS
1024683-17-7- 표준 SMILES
C=Cc1c(C)c2cc3nc(cc4[nH]c(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)c(CCC(=O)O)c4C)[C@@]1(C)C3=CC=C(C(=O)OC)[C@H]1C(=O)OC- InChIKey
IGMUDTDLAMQZRT-OMBCEYFDSA-N- 분자식
- C40H40N4O8
- 평균 분자량
- 704.8 g/mol
- 단동위원소 질량
- 704.28461425
이름 및 식별자
- 우선 이름
- 3-((23S,24R)-9-(2-carboxyethyl)-14-ethenyl-22,23-bis(methoxycarbonyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo(16.6.1.13,6.18,11.113,16.019,24)octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21-dodecaen-5-yl)propanoic acid
- IUPAC
- 3-[(23S,24R)-9-(2-carboxyethyl)-14-ethenyl-22,23-bis(methoxycarbonyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21-dodecaen-5-yl]propanoic acid
이름 및 동의어
3-((23S,24R)-9-(2-carboxyethyl)-14-ethenyl-22,23-bis(methoxycarbonyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo(16.6.1.13,6.18,11.113,16.019,24)octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21-dodecaen-5-yl)propanoic acid3-[(23S,24R)-9-(2-carboxyethyl)-14-ethenyl-22,23-bis(methoxycarbonyl)-4,10,15,24-tetramethyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1,3,5,7,9,11(27),12,14,16,18(25),19,21-dodecaen-5-yl]propanoic acidRefChem:488336893-419-0BPD-DAVerteporfin diacidNKD0AX51DAVerteporfin diacid, (+/-)-UNII-NKD0AX51DA121310-58-523H,25H-Benzo(b)porphine-9,13-dipropanoic acid, 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-, (4R,4aS)-rel-23H,25H-Benzo(b)porphine-9,13-dipropanoic acid, 18-ethenyl-4,4a-dihydro-3,4-bis(methoxycarbonyl)-4a,8,14,19-tetramethyl-, trans-
이름 더 보기
DTXSID30861303DTXSID708925101024683-17-724H,a26H-aBenzo[b]aporphine-a9,a13-adipropanoic acid, 18-aethenyl-a4,a4a-adihydro-a3,a4-abis(methoxycarbonyl)a-a4a,a8,a14,a19-atetramethyl-a, (4S,a4aR)a-3,3'-[(1~7~S,1~7a~R)-7~3~-Ethenyl-1~6~,1~7~-bis(methoxycarbonyl)-1~7a~,3~3~,5~4~,7~4~-tetramethyl-1~7~,1~7a~-dihydro-1~2~H,5~1~H-1(1,3)-isoindola-3,5,7(2,5)-tripyrrolacyclooctaphane-1,3,6,8-tetraene-3~4~,5~3~-diyl]dipropanoic acidrel-3,3'-[(1~7~R,1~7a~S)-7~3~-Ethenyl-1~6~,1~7~-bis(methoxycarbonyl)-1~7a~,3~3~,5~4~,7~4~-tetramethyl-1~7~,1~7a~-dihydro-1~2~H,5~1~H-1(1,3)-isoindola-3,5,7(2,5)-tripyrrolacyclooctaphane-1,3,6,8-tetraene-3~4~,5~3~-diyl]dipropanoic acid
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 185 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,480
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P260, P264+P265, P280, P305+P351+P338, P319, P337+P317, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesEye Irrit. 2 (100%)
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